#VESTA_FORMAT_VERSION 3.1.9


CRYSTAL

TITLE
1.80.BaFeO2.5.mcif -- in P1.1

GROUP
1 1 P 1
SYMOP
 0.000000  0.000000  0.000000  1  0  0   0  1  0   0  0  1   1
 -1.0 -1.0 -1.0  0 0 0  0 0 0  0 0 0
TRANM
 0.000000  0.000000  0.000000  1  0  0   0  1  0   0  0  1
LTRANSL
 -1
 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
LORIENT
 -1   0   0   0   0
 1.000000  0.000000  0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000  0.000000  1.000000
LMATRIX
 1.000000  0.000000  0.000000  0.000000
 0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
 0.000000  0.000000  0.000000
CELLP
 13.950600  11.728100  23.450701  90.000000  98.813004  90.000000
  0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
STRUC
  1 Ba      Ba1_1  1.0000   0.027300   0.351700   0.114500    1a       1
                            0.000000   0.000000   0.000000  1.00
  2 Ba      Ba1_2  1.0000   0.472700   0.851700   0.385500    1a       1
                            0.000000   0.000000   0.000000  1.00
  3 Ba      Ba1_3  1.0000   0.472700   0.648300   0.885500    1a       1
                            0.000000   0.000000   0.000000  1.00
  4 Ba      Ba1_4  1.0000   0.027300   0.148300   0.614500    1a       1
                            0.000000   0.000000   0.000000  1.00
  5 Ba      Ba1_5  1.0000   0.527300   0.351700   0.114500    1a       1
                            0.000000   0.000000   0.000000  1.00
  6 Ba      Ba1_6  1.0000   0.972700   0.851700   0.385500    1a       1
                            0.000000   0.000000   0.000000  1.00
  7 Ba      Ba1_7  1.0000   0.972700   0.648300   0.885500    1a       1
                            0.000000   0.000000   0.000000  1.00
  8 Ba      Ba1_8  1.0000   0.527300   0.148300   0.614500    1a       1
                            0.000000   0.000000   0.000000  1.00
  9 Ba      Ba2_1  1.0000   0.125000   0.614100   0.328300    1a       1
                            0.000000   0.000000   0.000000  1.00
 10 Ba      Ba2_2  1.0000   0.375000   0.114100   0.171700    1a       1
                            0.000000   0.000000   0.000000  1.00
 11 Ba      Ba2_3  1.0000   0.375000   0.385900   0.671700    1a       1
                            0.000000   0.000000   0.000000  1.00
 12 Ba      Ba2_4  1.0000   0.125000   0.885900   0.828300    1a       1
                            0.000000   0.000000   0.000000  1.00
 13 Ba      Ba2_5  1.0000   0.625000   0.614100   0.328300    1a       1
                            0.000000   0.000000   0.000000  1.00
 14 Ba      Ba2_6  1.0000   0.875000   0.114100   0.171700    1a       1
                            0.000000   0.000000   0.000000  1.00
 15 Ba      Ba2_7  1.0000   0.875000   0.385900   0.671700    1a       1
                            0.000000   0.000000   0.000000  1.00
 16 Ba      Ba2_8  1.0000   0.625000   0.885900   0.828300    1a       1
                            0.000000   0.000000   0.000000  1.00
 17 Ba      Ba3_1  1.0000   0.071550   0.130400   0.321500    1a       1
                            0.000000   0.000000   0.000000  1.00
 18 Ba      Ba3_2  1.0000   0.428450   0.630400   0.178500    1a       1
                            0.000000   0.000000   0.000000  1.00
 19 Ba      Ba3_3  1.0000   0.428450   0.869600   0.678500    1a       1
                            0.000000   0.000000   0.000000  1.00
 20 Ba      Ba3_4  1.0000   0.071550   0.369600   0.821500    1a       1
                            0.000000   0.000000   0.000000  1.00
 21 Ba      Ba3_5  1.0000   0.571550   0.130400   0.321500    1a       1
                            0.000000   0.000000   0.000000  1.00
 22 Ba      Ba3_6  1.0000   0.928450   0.630400   0.178500    1a       1
                            0.000000   0.000000   0.000000  1.00
 23 Ba      Ba3_7  1.0000   0.928450   0.869600   0.678500    1a       1
                            0.000000   0.000000   0.000000  1.00
 24 Ba      Ba3_8  1.0000   0.571550   0.369600   0.821500    1a       1
                            0.000000   0.000000   0.000000  1.00
 25 Ba      Ba4_1  1.0000   0.162850   0.632800   0.037900    1a       1
                            0.000000   0.000000   0.000000  1.00
 26 Ba      Ba4_2  1.0000   0.337150   0.132800   0.462100    1a       1
                            0.000000   0.000000   0.000000  1.00
 27 Ba      Ba4_3  1.0000   0.337150   0.367200   0.962100    1a       1
                            0.000000   0.000000   0.000000  1.00
 28 Ba      Ba4_4  1.0000   0.162850   0.867200   0.537900    1a       1
                            0.000000   0.000000   0.000000  1.00
 29 Ba      Ba4_5  1.0000   0.662850   0.632800   0.037900    1a       1
                            0.000000   0.000000   0.000000  1.00
 30 Ba      Ba4_6  1.0000   0.837150   0.132800   0.462100    1a       1
                            0.000000   0.000000   0.000000  1.00
 31 Ba      Ba4_7  1.0000   0.837150   0.367200   0.962100    1a       1
                            0.000000   0.000000   0.000000  1.00
 32 Ba      Ba4_8  1.0000   0.662850   0.867200   0.537900    1a       1
                            0.000000   0.000000   0.000000  1.00
 33 Ba      Ba5_1  1.0000   0.027350   0.617600   0.600100    1a       1
                            0.000000   0.000000   0.000000  1.00
 34 Ba      Ba5_2  1.0000   0.472650   0.117600   0.899900    1a       1
                            0.000000   0.000000   0.000000  1.00
 35 Ba      Ba5_3  1.0000   0.472650   0.382400   0.399900    1a       1
                            0.000000   0.000000   0.000000  1.00
 36 Ba      Ba5_4  1.0000   0.027350   0.882400   0.100100    1a       1
                            0.000000   0.000000   0.000000  1.00
 37 Ba      Ba5_5  1.0000   0.527350   0.617600   0.600100    1a       1
                            0.000000   0.000000   0.000000  1.00
 38 Ba      Ba5_6  1.0000   0.972650   0.117600   0.899900    1a       1
                            0.000000   0.000000   0.000000  1.00
 39 Ba      Ba5_7  1.0000   0.972650   0.382400   0.399900    1a       1
                            0.000000   0.000000   0.000000  1.00
 40 Ba      Ba5_8  1.0000   0.527350   0.882400   0.100100    1a       1
                            0.000000   0.000000   0.000000  1.00
 41 Ba      Ba6_1  1.0000   0.280150   0.354900   0.255800    1a       1
                            0.000000   0.000000   0.000000  1.00
 42 Ba      Ba6_2  1.0000   0.219850   0.854900   0.244200    1a       1
                            0.000000   0.000000   0.000000  1.00
 43 Ba      Ba6_3  1.0000   0.219850   0.645100   0.744200    1a       1
                            0.000000   0.000000   0.000000  1.00
 44 Ba      Ba6_4  1.0000   0.280150   0.145100   0.755800    1a       1
                            0.000000   0.000000   0.000000  1.00
 45 Ba      Ba6_5  1.0000   0.780150   0.354900   0.255800    1a       1
                            0.000000   0.000000   0.000000  1.00
 46 Ba      Ba6_6  1.0000   0.719850   0.854900   0.244200    1a       1
                            0.000000   0.000000   0.000000  1.00
 47 Ba      Ba6_7  1.0000   0.719850   0.645100   0.744200    1a       1
                            0.000000   0.000000   0.000000  1.00
 48 Ba      Ba6_8  1.0000   0.780150   0.145100   0.755800    1a       1
                            0.000000   0.000000   0.000000  1.00
 49 Ba      Ba7_1  1.0000   0.177200   0.110200   0.036400    1a       1
                            0.000000   0.000000   0.000000  1.00
 50 Ba      Ba7_2  1.0000   0.322800   0.610200   0.463600    1a       1
                            0.000000   0.000000   0.000000  1.00
 51 Ba      Ba7_3  1.0000   0.322800   0.889800   0.963600    1a       1
                            0.000000   0.000000   0.000000  1.00
 52 Ba      Ba7_4  1.0000   0.177200   0.389800   0.536400    1a       1
                            0.000000   0.000000   0.000000  1.00
 53 Ba      Ba7_5  1.0000   0.677200   0.110200   0.036400    1a       1
                            0.000000   0.000000   0.000000  1.00
 54 Ba      Ba7_6  1.0000   0.822800   0.610200   0.463600    1a       1
                            0.000000   0.000000   0.000000  1.00
 55 Ba      Ba7_7  1.0000   0.822800   0.889800   0.963600    1a       1
                            0.000000   0.000000   0.000000  1.00
 56 Ba      Ba7_8  1.0000   0.677200   0.389800   0.536400    1a       1
                            0.000000   0.000000   0.000000  1.00
 57 Fe      Fe1_1  1.0000   0.262450   0.353100   0.103800    1a       1
                            0.000000   0.000000   0.000000  1.00
 58 Fe      Fe1_2  1.0000   0.237550   0.853100   0.396200    1a       1
                            0.000000   0.000000   0.000000  1.00
 59 Fe      Fe1_3  1.0000   0.237550   0.646900   0.896200    1a       1
                            0.000000   0.000000   0.000000  1.00
 60 Fe      Fe1_4  1.0000   0.262450   0.146900   0.603800    1a       1
                            0.000000   0.000000   0.000000  1.00
 61 Fe      Fe1_5  1.0000   0.762450   0.353100   0.103800    1a       1
                            0.000000   0.000000   0.000000  1.00
 62 Fe      Fe1_6  1.0000   0.737550   0.853100   0.396200    1a       1
                            0.000000   0.000000   0.000000  1.00
 63 Fe      Fe1_7  1.0000   0.737550   0.646900   0.896200    1a       1
                            0.000000   0.000000   0.000000  1.00
 64 Fe      Fe1_8  1.0000   0.762450   0.146900   0.603800    1a       1
                            0.000000   0.000000   0.000000  1.00
 65 Fe      Fe2_1  1.0000   0.192400   0.581600   0.186000    1a       1
                            0.000000   0.000000   0.000000  1.00
 66 Fe      Fe2_2  1.0000   0.307600   0.081600   0.314000    1a       1
                            0.000000   0.000000   0.000000  1.00
 67 Fe      Fe2_3  1.0000   0.307600   0.418400   0.814000    1a       1
                            0.000000   0.000000   0.000000  1.00
 68 Fe      Fe2_4  1.0000   0.192400   0.918400   0.686000    1a       1
                            0.000000   0.000000   0.000000  1.00
 69 Fe      Fe2_5  1.0000   0.692400   0.581600   0.186000    1a       1
                            0.000000   0.000000   0.000000  1.00
 70 Fe      Fe2_6  1.0000   0.807600   0.081600   0.314000    1a       1
                            0.000000   0.000000   0.000000  1.00
 71 Fe      Fe2_7  1.0000   0.807600   0.418400   0.814000    1a       1
                            0.000000   0.000000   0.000000  1.00
 72 Fe      Fe2_8  1.0000   0.692400   0.918400   0.686000    1a       1
                            0.000000   0.000000   0.000000  1.00
 73 Fe      Fe3_1  1.0000   0.031000   0.399600   0.259500    1a       1
                            0.000000   0.000000   0.000000  1.00
 74 Fe      Fe3_2  1.0000   0.469000   0.899600   0.240500    1a       1
                            0.000000   0.000000   0.000000  1.00
 75 Fe      Fe3_3  1.0000   0.469000   0.600400   0.740500    1a       1
                            0.000000   0.000000   0.000000  1.00
 76 Fe      Fe3_4  1.0000   0.031000   0.100400   0.759500    1a       1
                            0.000000   0.000000   0.000000  1.00
 77 Fe      Fe3_5  1.0000   0.531000   0.399600   0.259500    1a       1
                            0.000000   0.000000   0.000000  1.00
 78 Fe      Fe3_6  1.0000   0.969000   0.899600   0.240500    1a       1
                            0.000000   0.000000   0.000000  1.00
 79 Fe      Fe3_7  1.0000   0.969000   0.600400   0.740500    1a       1
                            0.000000   0.000000   0.000000  1.00
 80 Fe      Fe3_8  1.0000   0.531000   0.100400   0.759500    1a       1
                            0.000000   0.000000   0.000000  1.00
 81 Fe      Fe4_1  1.0000   0.086950   0.152500   0.470700    1a       1
                            0.000000   0.000000   0.000000  1.00
 82 Fe      Fe4_2  1.0000   0.413050   0.652500   0.029300    1a       1
                            0.000000   0.000000   0.000000  1.00
 83 Fe      Fe4_3  1.0000   0.413050   0.847500   0.529300    1a       1
                            0.000000   0.000000   0.000000  1.00
 84 Fe      Fe4_4  1.0000   0.086950   0.347500   0.970700    1a       1
                            0.000000   0.000000   0.000000  1.00
 85 Fe      Fe4_5  1.0000   0.586950   0.152500   0.470700    1a       1
                            0.000000   0.000000   0.000000  1.00
 86 Fe      Fe4_6  1.0000   0.913050   0.652500   0.029300    1a       1
                            0.000000   0.000000   0.000000  1.00
 87 Fe      Fe4_7  1.0000   0.913050   0.847500   0.529300    1a       1
                            0.000000   0.000000   0.000000  1.00
 88 Fe      Fe4_8  1.0000   0.586950   0.347500   0.970700    1a       1
                            0.000000   0.000000   0.000000  1.00
 89 Fe      Fe5_1  1.0000   0.217950   0.381700   0.398800    1a       1
                            0.000000   0.000000   0.000000  1.00
 90 Fe      Fe5_2  1.0000   0.282050   0.881700   0.101200    1a       1
                            0.000000   0.000000   0.000000  1.00
 91 Fe      Fe5_3  1.0000   0.282050   0.618300   0.601200    1a       1
                            0.000000   0.000000   0.000000  1.00
 92 Fe      Fe5_4  1.0000   0.217950   0.118300   0.898800    1a       1
                            0.000000   0.000000   0.000000  1.00
 93 Fe      Fe5_5  1.0000   0.717950   0.381700   0.398800    1a       1
                            0.000000   0.000000   0.000000  1.00
 94 Fe      Fe5_6  1.0000   0.782050   0.881700   0.101200    1a       1
                            0.000000   0.000000   0.000000  1.00
 95 Fe      Fe5_7  1.0000   0.782050   0.618300   0.601200    1a       1
                            0.000000   0.000000   0.000000  1.00
 96 Fe      Fe5_8  1.0000   0.717950   0.118300   0.898800    1a       1
                            0.000000   0.000000   0.000000  1.00
 97 Fe      Fe6_1  1.0000   0.135350   0.104500   0.174600    1a       1
                            0.000000   0.000000   0.000000  1.00
 98 Fe      Fe6_2  1.0000   0.364650   0.604500   0.325400    1a       1
                            0.000000   0.000000   0.000000  1.00
 99 Fe      Fe6_3  1.0000   0.364650   0.895500   0.825400    1a       1
                            0.000000   0.000000   0.000000  1.00
100 Fe      Fe6_4  1.0000   0.135350   0.395500   0.674600    1a       1
                            0.000000   0.000000   0.000000  1.00
101 Fe      Fe6_5  1.0000   0.635350   0.104500   0.174600    1a       1
                            0.000000   0.000000   0.000000  1.00
102 Fe      Fe6_6  1.0000   0.864650   0.604500   0.325400    1a       1
                            0.000000   0.000000   0.000000  1.00
103 Fe      Fe6_7  1.0000   0.864650   0.895500   0.825400    1a       1
                            0.000000   0.000000   0.000000  1.00
104 Fe      Fe6_8  1.0000   0.635350   0.395500   0.674600    1a       1
                            0.000000   0.000000   0.000000  1.00
105 Fe      Fe7_1  1.0000   0.072900   0.621700   0.464400    1a       1
                            0.000000   0.000000   0.000000  1.00
106 Fe      Fe7_2  1.0000   0.427100   0.121700   0.035600    1a       1
                            0.000000   0.000000   0.000000  1.00
107 Fe      Fe7_3  1.0000   0.427100   0.378300   0.535600    1a       1
                            0.000000   0.000000   0.000000  1.00
108 Fe      Fe7_4  1.0000   0.072900   0.878300   0.964400    1a       1
                            0.000000   0.000000   0.000000  1.00
109 Fe      Fe7_5  1.0000   0.572900   0.621700   0.464400    1a       1
                            0.000000   0.000000   0.000000  1.00
110 Fe      Fe7_6  1.0000   0.927100   0.121700   0.035600    1a       1
                            0.000000   0.000000   0.000000  1.00
111 Fe      Fe7_7  1.0000   0.927100   0.378300   0.535600    1a       1
                            0.000000   0.000000   0.000000  1.00
112 Fe      Fe7_8  1.0000   0.572900   0.878300   0.964400    1a       1
                            0.000000   0.000000   0.000000  1.00
113  O       O1_1  1.0000   0.000000   0.000000   0.000000    1a       1
                            0.000000   0.000000   0.000000  1.00
114  O       O1_2  1.0000   0.500000   0.500000   0.500000    1a       1
                            0.000000   0.000000   0.000000  1.00
115  O       O1_3  1.0000   0.500000   0.000000   0.000000    1a       1
                            0.000000   0.000000   0.000000  1.00
116  O       O1_4  1.0000   0.000000   0.500000   0.500000    1a       1
                            0.000000   0.000000   0.000000  1.00
117  O       O2_1  1.0000   0.148600   0.709700   0.148500    1a       1
                            0.000000   0.000000   0.000000  1.00
118  O       O2_2  1.0000   0.351400   0.209700   0.351500    1a       1
                            0.000000   0.000000   0.000000  1.00
119  O       O2_3  1.0000   0.351400   0.290300   0.851500    1a       1
                            0.000000   0.000000   0.000000  1.00
120  O       O2_4  1.0000   0.148600   0.790300   0.648500    1a       1
                            0.000000   0.000000   0.000000  1.00
121  O       O2_5  1.0000   0.648600   0.709700   0.148500    1a       1
                            0.000000   0.000000   0.000000  1.00
122  O       O2_6  1.0000   0.851400   0.209700   0.351500    1a       1
                            0.000000   0.000000   0.000000  1.00
123  O       O2_7  1.0000   0.851400   0.290300   0.851500    1a       1
                            0.000000   0.000000   0.000000  1.00
124  O       O2_8  1.0000   0.648600   0.790300   0.648500    1a       1
                            0.000000   0.000000   0.000000  1.00
125  O       O3_1  1.0000   0.468600   0.277000   0.227100    1a       1
                            0.000000   0.000000   0.000000  1.00
126  O       O3_2  1.0000   0.031400   0.777000   0.272900    1a       1
                            0.000000   0.000000   0.000000  1.00
127  O       O3_3  1.0000   0.031400   0.723000   0.772900    1a       1
                            0.000000   0.000000   0.000000  1.00
128  O       O3_4  1.0000   0.468600   0.223000   0.727100    1a       1
                            0.000000   0.000000   0.000000  1.00
129  O       O3_5  1.0000   0.968600   0.277000   0.227100    1a       1
                            0.000000   0.000000   0.000000  1.00
130  O       O3_6  1.0000   0.531400   0.777000   0.272900    1a       1
                            0.000000   0.000000   0.000000  1.00
131  O       O3_7  1.0000   0.531400   0.723000   0.772900    1a       1
                            0.000000   0.000000   0.000000  1.00
132  O       O3_8  1.0000   0.968600   0.223000   0.727100    1a       1
                            0.000000   0.000000   0.000000  1.00
133  O       O4_1  1.0000   0.019100   0.044900   0.427300    1a       1
                            0.000000   0.000000   0.000000  1.00
134  O       O4_2  1.0000   0.480900   0.544900   0.072700    1a       1
                            0.000000   0.000000   0.000000  1.00
135  O       O4_3  1.0000   0.480900   0.955100   0.572700    1a       1
                            0.000000   0.000000   0.000000  1.00
136  O       O4_4  1.0000   0.019100   0.455100   0.927300    1a       1
                            0.000000   0.000000   0.000000  1.00
137  O       O4_5  1.0000   0.519100   0.044900   0.427300    1a       1
                            0.000000   0.000000   0.000000  1.00
138  O       O4_6  1.0000   0.980900   0.544900   0.072700    1a       1
                            0.000000   0.000000   0.000000  1.00
139  O       O4_7  1.0000   0.980900   0.955100   0.572700    1a       1
                            0.000000   0.000000   0.000000  1.00
140  O       O4_8  1.0000   0.519100   0.455100   0.927300    1a       1
                            0.000000   0.000000   0.000000  1.00
141  O       O5_1  1.0000   0.004000   0.247400   0.002100    1a       1
                            0.000000   0.000000   0.000000  1.00
142  O       O5_2  1.0000   0.496000   0.747400   0.497900    1a       1
                            0.000000   0.000000   0.000000  1.00
143  O       O5_3  1.0000   0.496000   0.752600   0.997900    1a       1
                            0.000000   0.000000   0.000000  1.00
144  O       O5_4  1.0000   0.004000   0.252600   0.502100    1a       1
                            0.000000   0.000000   0.000000  1.00
145  O       O5_5  1.0000   0.504000   0.247400   0.002100    1a       1
                            0.000000   0.000000   0.000000  1.00
146  O       O5_6  1.0000   0.996000   0.747400   0.497900    1a       1
                            0.000000   0.000000   0.000000  1.00
147  O       O5_7  1.0000   0.996000   0.752600   0.997900    1a       1
                            0.000000   0.000000   0.000000  1.00
148  O       O5_8  1.0000   0.504000   0.252600   0.502100    1a       1
                            0.000000   0.000000   0.000000  1.00
149  O       O6_1  1.0000   0.147700   0.500000   0.429700    1a       1
                            0.000000   0.000000   0.000000  1.00
150  O       O6_2  1.0000   0.352300   0.000000   0.070300    1a       1
                            0.000000   0.000000   0.000000  1.00
151  O       O6_3  1.0000   0.352300   0.500000   0.570300    1a       1
                            0.000000   0.000000   0.000000  1.00
152  O       O6_4  1.0000   0.147700   0.000000   0.929700    1a       1
                            0.000000   0.000000   0.000000  1.00
153  O       O6_5  1.0000   0.647700   0.500000   0.429700    1a       1
                            0.000000   0.000000   0.000000  1.00
154  O       O6_6  1.0000   0.852300   0.000000   0.070300    1a       1
                            0.000000   0.000000   0.000000  1.00
155  O       O6_7  1.0000   0.852300   0.500000   0.570300    1a       1
                            0.000000   0.000000   0.000000  1.00
156  O       O6_8  1.0000   0.647700   0.000000   0.929700    1a       1
                            0.000000   0.000000   0.000000  1.00
157  O       O7_1  1.0000   0.356650   0.259700   0.076600    1a       1
                            0.000000   0.000000   0.000000  1.00
158  O       O7_2  1.0000   0.143350   0.759700   0.423400    1a       1
                            0.000000   0.000000   0.000000  1.00
159  O       O7_3  1.0000   0.143350   0.740300   0.923400    1a       1
                            0.000000   0.000000   0.000000  1.00
160  O       O7_4  1.0000   0.356650   0.240300   0.576600    1a       1
                            0.000000   0.000000   0.000000  1.00
161  O       O7_5  1.0000   0.856650   0.259700   0.076600    1a       1
                            0.000000   0.000000   0.000000  1.00
162  O       O7_6  1.0000   0.643350   0.759700   0.423400    1a       1
                            0.000000   0.000000   0.000000  1.00
163  O       O7_7  1.0000   0.643350   0.740300   0.923400    1a       1
                            0.000000   0.000000   0.000000  1.00
164  O       O7_8  1.0000   0.856650   0.240300   0.576600    1a       1
                            0.000000   0.000000   0.000000  1.00
165  O       O8_1  1.0000   0.027950   0.119500   0.107900    1a       1
                            0.000000   0.000000   0.000000  1.00
166  O       O8_2  1.0000   0.472050   0.619500   0.392100    1a       1
                            0.000000   0.000000   0.000000  1.00
167  O       O8_3  1.0000   0.472050   0.880500   0.892100    1a       1
                            0.000000   0.000000   0.000000  1.00
168  O       O8_4  1.0000   0.027950   0.380500   0.607900    1a       1
                            0.000000   0.000000   0.000000  1.00
169  O       O8_5  1.0000   0.527950   0.119500   0.107900    1a       1
                            0.000000   0.000000   0.000000  1.00
170  O       O8_6  1.0000   0.972050   0.619500   0.392100    1a       1
                            0.000000   0.000000   0.000000  1.00
171  O       O8_7  1.0000   0.972050   0.880500   0.892100    1a       1
                            0.000000   0.000000   0.000000  1.00
172  O       O8_8  1.0000   0.527950   0.380500   0.607900    1a       1
                            0.000000   0.000000   0.000000  1.00
173  O       O9_1  1.0000   0.203000   0.986200   0.143600    1a       1
                            0.000000   0.000000   0.000000  1.00
174  O       O9_2  1.0000   0.297000   0.486200   0.356400    1a       1
                            0.000000   0.000000   0.000000  1.00
175  O       O9_3  1.0000   0.297000   0.013800   0.856400    1a       1
                            0.000000   0.000000   0.000000  1.00
176  O       O9_4  1.0000   0.203000   0.513800   0.643600    1a       1
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177  O       O9_5  1.0000   0.703000   0.986200   0.143600    1a       1
                            0.000000   0.000000   0.000000  1.00
178  O       O9_6  1.0000   0.797000   0.486200   0.356400    1a       1
                            0.000000   0.000000   0.000000  1.00
179  O       O9_7  1.0000   0.797000   0.013800   0.856400    1a       1
                            0.000000   0.000000   0.000000  1.00
180  O       O9_8  1.0000   0.703000   0.513800   0.643600    1a       1
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                            0.000000   0.000000   0.000000  1.00
182  O      O10_2  1.0000   0.296850   0.744300   0.353000    1a       1
                            0.000000   0.000000   0.000000  1.00
183  O      O10_3  1.0000   0.296850   0.755700   0.853000    1a       1
                            0.000000   0.000000   0.000000  1.00
184  O      O10_4  1.0000   0.203150   0.255700   0.647000    1a       1
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185  O      O10_5  1.0000   0.703150   0.244300   0.147000    1a       1
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186  O      O10_6  1.0000   0.796850   0.744300   0.353000    1a       1
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187  O      O10_7  1.0000   0.796850   0.755700   0.853000    1a       1
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188  O      O10_8  1.0000   0.703150   0.255700   0.647000    1a       1
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189  O      O11_1  1.0000   0.058650   0.003600   0.216800    1a       1
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190  O      O11_2  1.0000   0.441350   0.503600   0.283200    1a       1
                            0.000000   0.000000   0.000000  1.00
191  O      O11_3  1.0000   0.441350   0.996400   0.783200    1a       1
                            0.000000   0.000000   0.000000  1.00
192  O      O11_4  1.0000   0.058650   0.496400   0.716800    1a       1
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193  O      O11_5  1.0000   0.558650   0.003600   0.216800    1a       1
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194  O      O11_6  1.0000   0.941350   0.503600   0.283200    1a       1
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195  O      O11_7  1.0000   0.941350   0.996400   0.783200    1a       1
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196  O      O11_8  1.0000   0.558650   0.496400   0.716800    1a       1
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197  O      O12_1  1.0000   0.225000   0.126300   0.249700    1a       1
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198  O      O12_2  1.0000   0.275000   0.626300   0.250300    1a       1
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199  O      O12_3  1.0000   0.275000   0.873700   0.750300    1a       1
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200  O      O12_4  1.0000   0.225000   0.373700   0.749700    1a       1
                            0.000000   0.000000   0.000000  1.00
201  O      O12_5  1.0000   0.725000   0.126300   0.249700    1a       1
                            0.000000   0.000000   0.000000  1.00
202  O      O12_6  1.0000   0.775000   0.626300   0.250300    1a       1
                            0.000000   0.000000   0.000000  1.00
203  O      O12_7  1.0000   0.775000   0.873700   0.750300    1a       1
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204  O      O12_8  1.0000   0.725000   0.373700   0.749700    1a       1
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205  O      O13_1  1.0000   0.097200   0.490700   0.211000    1a       1
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206  O      O13_2  1.0000   0.402800   0.990700   0.289000    1a       1
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207  O      O13_3  1.0000   0.402800   0.509300   0.789000    1a       1
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208  O      O13_4  1.0000   0.097200   0.009300   0.711000    1a       1
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209  O      O13_5  1.0000   0.597200   0.490700   0.211000    1a       1
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210  O      O13_6  1.0000   0.902800   0.990700   0.289000    1a       1
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211  O      O13_7  1.0000   0.902800   0.509300   0.789000    1a       1
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212  O      O13_8  1.0000   0.597200   0.009300   0.711000    1a       1
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213  O      O14_1  1.0000   0.270800   0.491700   0.144900    1a       1
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214  O      O14_2  1.0000   0.229200   0.991700   0.355100    1a       1
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215  O      O14_3  1.0000   0.229200   0.508300   0.855100    1a       1
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216  O      O14_4  1.0000   0.270800   0.008300   0.644900    1a       1
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217  O      O14_5  1.0000   0.770800   0.491700   0.144900    1a       1
                            0.000000   0.000000   0.000000  1.00
218  O      O14_6  1.0000   0.729200   0.991700   0.355100    1a       1
                            0.000000   0.000000   0.000000  1.00
219  O      O14_7  1.0000   0.729200   0.508300   0.855100    1a       1
                            0.000000   0.000000   0.000000  1.00
220  O      O14_8  1.0000   0.770800   0.008300   0.644900    1a       1
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221  O      O15_1  1.0000   0.155750   0.240600   0.426100    1a       1
                            0.000000   0.000000   0.000000  1.00
222  O      O15_2  1.0000   0.344250   0.740600   0.073900    1a       1
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223  O      O15_3  1.0000   0.344250   0.759400   0.573900    1a       1
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224  O      O15_4  1.0000   0.155750   0.259400   0.926100    1a       1
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225  O      O15_5  1.0000   0.655750   0.240600   0.426100    1a       1
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226  O      O15_6  1.0000   0.844250   0.740600   0.073900    1a       1
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227  O      O15_7  1.0000   0.844250   0.759400   0.573900    1a       1
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228  O      O15_8  1.0000   0.655750   0.259400   0.926100    1a       1
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229  O      O16_1  1.0000   0.179800   0.392300   0.036400    1a       1
                            0.000000   0.000000   0.000000  1.00
230  O      O16_2  1.0000   0.320200   0.892300   0.463600    1a       1
                            0.000000   0.000000   0.000000  1.00
231  O      O16_3  1.0000   0.320200   0.607700   0.963600    1a       1
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232  O      O16_4  1.0000   0.179800   0.107700   0.536400    1a       1
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233  O      O16_5  1.0000   0.679800   0.392300   0.036400    1a       1
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234  O      O16_6  1.0000   0.820200   0.892300   0.463600    1a       1
                            0.000000   0.000000   0.000000  1.00
235  O      O16_7  1.0000   0.820200   0.607700   0.963600    1a       1
                            0.000000   0.000000   0.000000  1.00
236  O      O16_8  1.0000   0.679800   0.107700   0.536400    1a       1
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237  O      O17_1  1.0000   0.125750   0.358300   0.322500    1a       1
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238  O      O17_2  1.0000   0.374250   0.858300   0.177500    1a       1
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239  O      O17_3  1.0000   0.374250   0.641700   0.677500    1a       1
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240  O      O17_4  1.0000   0.125750   0.141700   0.822500    1a       1
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241  O      O17_5  1.0000   0.625750   0.358300   0.322500    1a       1
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242  O      O17_6  1.0000   0.874250   0.858300   0.177500    1a       1
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243  O      O17_7  1.0000   0.874250   0.641700   0.677500    1a       1
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244  O      O17_8  1.0000   0.625750   0.141700   0.822500    1a       1
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245  O      O18_1  1.0000   0.326500   0.366900   0.463600    1a       1
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246  O      O18_2  1.0000   0.173500   0.866900   0.036400    1a       1
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247  O      O18_3  1.0000   0.173500   0.633100   0.536400    1a       1
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248  O      O18_4  1.0000   0.326500   0.133100   0.963600    1a       1
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249  O      O18_5  1.0000   0.826500   0.366900   0.463600    1a       1
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250  O      O18_6  1.0000   0.673500   0.866900   0.036400    1a       1
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251  O      O18_7  1.0000   0.673500   0.633100   0.536400    1a       1
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252  O      O18_8  1.0000   0.826500   0.133100   0.963600    1a       1
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  0 0 0 0 0 0 0
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  3      Ba1_3  1.000000
  4      Ba1_4  1.000000
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100      Fe6_4  1.000000
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108      Fe7_4  1.000000
109      Fe7_5  1.000000
110      Fe7_6  1.000000
111      Fe7_7  1.000000
112      Fe7_8  1.000000
113       O1_1  1.000000
114       O1_2  1.000000
115       O1_3  1.000000
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146       O5_6  1.000000
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148       O5_8  1.000000
149       O6_1  1.000000
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152       O6_4  1.000000
153       O6_5  1.000000
154       O6_6  1.000000
155       O6_7  1.000000
156       O6_8  1.000000
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158       O7_2  1.000000
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160       O7_4  1.000000
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162       O7_6  1.000000
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164       O7_8  1.000000
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169       O8_5  1.000000
170       O8_6  1.000000
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182      O10_2  1.000000
183      O10_3  1.000000
184      O10_4  1.000000
185      O10_5  1.000000
186      O10_6  1.000000
187      O10_7  1.000000
188      O10_8  1.000000
189      O11_1  1.000000
190      O11_2  1.000000
191      O11_3  1.000000
192      O11_4  1.000000
193      O11_5  1.000000
194      O11_6  1.000000
195      O11_7  1.000000
196      O11_8  1.000000
197      O12_1  1.000000
198      O12_2  1.000000
199      O12_3  1.000000
200      O12_4  1.000000
201      O12_5  1.000000
202      O12_6  1.000000
203      O12_7  1.000000
204      O12_8  1.000000
205      O13_1  1.000000
206      O13_2  1.000000
207      O13_3  1.000000
208      O13_4  1.000000
209      O13_5  1.000000
210      O13_6  1.000000
211      O13_7  1.000000
212      O13_8  1.000000
213      O14_1  1.000000
214      O14_2  1.000000
215      O14_3  1.000000
216      O14_4  1.000000
217      O14_5  1.000000
218      O14_6  1.000000
219      O14_7  1.000000
220      O14_8  1.000000
221      O15_1  1.000000
222      O15_2  1.000000
223      O15_3  1.000000
224      O15_4  1.000000
225      O15_5  1.000000
226      O15_6  1.000000
227      O15_7  1.000000
228      O15_8  1.000000
229      O16_1  1.000000
230      O16_2  1.000000
231      O16_3  1.000000
232      O16_4  1.000000
233      O16_5  1.000000
234      O16_6  1.000000
235      O16_7  1.000000
236      O16_8  1.000000
237      O17_1  1.000000
238      O17_2  1.000000
239      O17_3  1.000000
240      O17_4  1.000000
241      O17_5  1.000000
242      O17_6  1.000000
243      O17_7  1.000000
244      O17_8  1.000000
245      O18_1  1.000000
246      O18_2  1.000000
247      O18_3  1.000000
248      O18_4  1.000000
249      O18_5  1.000000
250      O18_6  1.000000
251      O18_7  1.000000
252      O18_8  1.000000
  0 0 0
SHAPE
  0       0       0       0   0.000000  0   192   192   192   192
BOUND
       0        1         0        1         0        1
  0   0   0   0  0
SBOND
  1    Fe     O    0.00000    3.00000  0  1  1  0  1  0.250  1.000 180 180 180
  0 0 0 0
SITET
  1      Ba1_1  1.3000  30 239  44  30 239  44  20  0
  2      Ba1_2  1.3000  30 239  44  30 239  44  20  0
  3      Ba1_3  1.3000  30 239  44  30 239  44  20  0
  4      Ba1_4  1.3000  30 239  44  30 239  44  20  0
  5      Ba1_5  1.3000  30 239  44  30 239  44  20  0
  6      Ba1_6  1.3000  30 239  44  30 239  44  20  0
  7      Ba1_7  1.3000  30 239  44  30 239  44  20  0
  8      Ba1_8  1.3000  30 239  44  30 239  44  20  0
  9      Ba2_1  1.3000  30 239  44  30 239  44  20  0
 10      Ba2_2  1.3000  30 239  44  30 239  44  20  0
 11      Ba2_3  1.3000  30 239  44  30 239  44  20  0
 12      Ba2_4  1.3000  30 239  44  30 239  44  20  0
 13      Ba2_5  1.3000  30 239  44  30 239  44  20  0
 14      Ba2_6  1.3000  30 239  44  30 239  44  20  0
 15      Ba2_7  1.3000  30 239  44  30 239  44  20  0
 16      Ba2_8  1.3000  30 239  44  30 239  44  20  0
 17      Ba3_1  1.3000  30 239  44  30 239  44  20  0
 18      Ba3_2  1.3000  30 239  44  30 239  44  20  0
 19      Ba3_3  1.3000  30 239  44  30 239  44  20  0
 20      Ba3_4  1.3000  30 239  44  30 239  44  20  0
 21      Ba3_5  1.3000  30 239  44  30 239  44  20  0
 22      Ba3_6  1.3000  30 239  44  30 239  44  20  0
 23      Ba3_7  1.3000  30 239  44  30 239  44  20  0
 24      Ba3_8  1.3000  30 239  44  30 239  44  20  0
 25      Ba4_1  1.3000  30 239  44  30 239  44  20  0
 26      Ba4_2  1.3000  30 239  44  30 239  44  20  0
 27      Ba4_3  1.3000  30 239  44  30 239  44  20  0
 28      Ba4_4  1.3000  30 239  44  30 239  44  20  0
 29      Ba4_5  1.3000  30 239  44  30 239  44  20  0
 30      Ba4_6  1.3000  30 239  44  30 239  44  20  0
 31      Ba4_7  1.3000  30 239  44  30 239  44  20  0
 32      Ba4_8  1.3000  30 239  44  30 239  44  20  0
 33      Ba5_1  1.3000  30 239  44  30 239  44  20  0
 34      Ba5_2  1.3000  30 239  44  30 239  44  20  0
 35      Ba5_3  1.3000  30 239  44  30 239  44  20  0
 36      Ba5_4  1.3000  30 239  44  30 239  44  20  0
 37      Ba5_5  1.3000  30 239  44  30 239  44  20  0
 38      Ba5_6  1.3000  30 239  44  30 239  44  20  0
 39      Ba5_7  1.3000  30 239  44  30 239  44  20  0
 40      Ba5_8  1.3000  30 239  44  30 239  44  20  0
 41      Ba6_1  1.3000  30 239  44  30 239  44  20  0
 42      Ba6_2  1.3000  30 239  44  30 239  44  20  0
 43      Ba6_3  1.3000  30 239  44  30 239  44  20  0
 44      Ba6_4  1.3000  30 239  44  30 239  44  20  0
 45      Ba6_5  1.3000  30 239  44  30 239  44  20  0
 46      Ba6_6  1.3000  30 239  44  30 239  44  20  0
 47      Ba6_7  1.3000  30 239  44  30 239  44  20  0
 48      Ba6_8  1.3000  30 239  44  30 239  44  20  0
 49      Ba7_1  1.3000  30 239  44  30 239  44  20  0
 50      Ba7_2  1.3000  30 239  44  30 239  44  20  0
 51      Ba7_3  1.3000  30 239  44  30 239  44  20  0
 52      Ba7_4  1.3000  30 239  44  30 239  44  20  0
 53      Ba7_5  1.3000  30 239  44  30 239  44  20  0
 54      Ba7_6  1.3000  30 239  44  30 239  44  20  0
 55      Ba7_7  1.3000  30 239  44  30 239  44  20  0
 56      Ba7_8  1.3000  30 239  44  30 239  44  20  0
 57      Fe1_1  1.2600 181 113   0 181 113   0  20  0
 58      Fe1_2  1.2600 181 113   0 181 113   0  20  0
 59      Fe1_3  1.2600 181 113   0 181 113   0  20  0
 60      Fe1_4  1.2600 181 113   0 181 113   0  20  0
 61      Fe1_5  1.2600 181 113   0 181 113   0  20  0
 62      Fe1_6  1.2600 181 113   0 181 113   0  20  0
 63      Fe1_7  1.2600 181 113   0 181 113   0  20  0
 64      Fe1_8  1.2600 181 113   0 181 113   0  20  0
 65      Fe2_1  1.2600 181 113   0 181 113   0  20  0
 66      Fe2_2  1.2600 181 113   0 181 113   0  20  0
 67      Fe2_3  1.2600 181 113   0 181 113   0  20  0
 68      Fe2_4  1.2600 181 113   0 181 113   0  20  0
 69      Fe2_5  1.2600 181 113   0 181 113   0  20  0
 70      Fe2_6  1.2600 181 113   0 181 113   0  20  0
 71      Fe2_7  1.2600 181 113   0 181 113   0  20  0
 72      Fe2_8  1.2600 181 113   0 181 113   0  20  0
 73      Fe3_1  1.2600 181 113   0 181 113   0  20  0
 74      Fe3_2  1.2600 181 113   0 181 113   0  20  0
 75      Fe3_3  1.2600 181 113   0 181 113   0  20  0
 76      Fe3_4  1.2600 181 113   0 181 113   0  20  0
 77      Fe3_5  1.2600 181 113   0 181 113   0  20  0
 78      Fe3_6  1.2600 181 113   0 181 113   0  20  0
 79      Fe3_7  1.2600 181 113   0 181 113   0  20  0
 80      Fe3_8  1.2600 181 113   0 181 113   0  20  0
 81      Fe4_1  1.2600 181 113   0 181 113   0  20  0
 82      Fe4_2  1.2600 181 113   0 181 113   0  20  0
 83      Fe4_3  1.2600 181 113   0 181 113   0  20  0
 84      Fe4_4  1.2600 181 113   0 181 113   0  20  0
 85      Fe4_5  1.2600 181 113   0 181 113   0  20  0
 86      Fe4_6  1.2600 181 113   0 181 113   0  20  0
 87      Fe4_7  1.2600 181 113   0 181 113   0  20  0
 88      Fe4_8  1.2600 181 113   0 181 113   0  20  0
 89      Fe5_1  1.2600 181 113   0 181 113   0  20  0
 90      Fe5_2  1.2600 181 113   0 181 113   0  20  0
 91      Fe5_3  1.2600 181 113   0 181 113   0  20  0
 92      Fe5_4  1.2600 181 113   0 181 113   0  20  0
 93      Fe5_5  1.2600 181 113   0 181 113   0  20  0
 94      Fe5_6  1.2600 181 113   0 181 113   0  20  0
 95      Fe5_7  1.2600 181 113   0 181 113   0  20  0
 96      Fe5_8  1.2600 181 113   0 181 113   0  20  0
 97      Fe6_1  1.2600 181 113   0 181 113   0  20  0
 98      Fe6_2  1.2600 181 113   0 181 113   0  20  0
 99      Fe6_3  1.2600 181 113   0 181 113   0  20  0
100      Fe6_4  1.2600 181 113   0 181 113   0  20  0
101      Fe6_5  1.2600 181 113   0 181 113   0  20  0
102      Fe6_6  1.2600 181 113   0 181 113   0  20  0
103      Fe6_7  1.2600 181 113   0 181 113   0  20  0
104      Fe6_8  1.2600 181 113   0 181 113   0  20  0
105      Fe7_1  1.2600 181 113   0 181 113   0  20  0
106      Fe7_2  1.2600 181 113   0 181 113   0  20  0
107      Fe7_3  1.2600 181 113   0 181 113   0  20  0
108      Fe7_4  1.2600 181 113   0 181 113   0  20  0
109      Fe7_5  1.2600 181 113   0 181 113   0  20  0
110      Fe7_6  1.2600 181 113   0 181 113   0  20  0
111      Fe7_7  1.2600 181 113   0 181 113   0  20  0
112      Fe7_8  1.2600 181 113   0 181 113   0  20  0
113       O1_1  0.7400 254   3   0 254   3   0  20  0
114       O1_2  0.7400 254   3   0 254   3   0  20  0
115       O1_3  0.7400 254   3   0 254   3   0  20  0
116       O1_4  0.7400 254   3   0 254   3   0  20  0
117       O2_1  0.7400 254   3   0 254   3   0  20  0
118       O2_2  0.7400 254   3   0 254   3   0  20  0
119       O2_3  0.7400 254   3   0 254   3   0  20  0
120       O2_4  0.7400 254   3   0 254   3   0  20  0
121       O2_5  0.7400 254   3   0 254   3   0  20  0
122       O2_6  0.7400 254   3   0 254   3   0  20  0
123       O2_7  0.7400 254   3   0 254   3   0  20  0
124       O2_8  0.7400 254   3   0 254   3   0  20  0
125       O3_1  0.7400 254   3   0 254   3   0  20  0
126       O3_2  0.7400 254   3   0 254   3   0  20  0
127       O3_3  0.7400 254   3   0 254   3   0  20  0
128       O3_4  0.7400 254   3   0 254   3   0  20  0
129       O3_5  0.7400 254   3   0 254   3   0  20  0
130       O3_6  0.7400 254   3   0 254   3   0  20  0
131       O3_7  0.7400 254   3   0 254   3   0  20  0
132       O3_8  0.7400 254   3   0 254   3   0  20  0
133       O4_1  0.7400 254   3   0 254   3   0  20  0
134       O4_2  0.7400 254   3   0 254   3   0  20  0
135       O4_3  0.7400 254   3   0 254   3   0  20  0
136       O4_4  0.7400 254   3   0 254   3   0  20  0
137       O4_5  0.7400 254   3   0 254   3   0  20  0
138       O4_6  0.7400 254   3   0 254   3   0  20  0
139       O4_7  0.7400 254   3   0 254   3   0  20  0
140       O4_8  0.7400 254   3   0 254   3   0  20  0
141       O5_1  0.7400 254   3   0 254   3   0  20  0
142       O5_2  0.7400 254   3   0 254   3   0  20  0
143       O5_3  0.7400 254   3   0 254   3   0  20  0
144       O5_4  0.7400 254   3   0 254   3   0  20  0
145       O5_5  0.7400 254   3   0 254   3   0  20  0
146       O5_6  0.7400 254   3   0 254   3   0  20  0
147       O5_7  0.7400 254   3   0 254   3   0  20  0
148       O5_8  0.7400 254   3   0 254   3   0  20  0
149       O6_1  0.7400 254   3   0 254   3   0  20  0
150       O6_2  0.7400 254   3   0 254   3   0  20  0
151       O6_3  0.7400 254   3   0 254   3   0  20  0
152       O6_4  0.7400 254   3   0 254   3   0  20  0
153       O6_5  0.7400 254   3   0 254   3   0  20  0
154       O6_6  0.7400 254   3   0 254   3   0  20  0
155       O6_7  0.7400 254   3   0 254   3   0  20  0
156       O6_8  0.7400 254   3   0 254   3   0  20  0
157       O7_1  0.7400 254   3   0 254   3   0  20  0
158       O7_2  0.7400 254   3   0 254   3   0  20  0
159       O7_3  0.7400 254   3   0 254   3   0  20  0
160       O7_4  0.7400 254   3   0 254   3   0  20  0
161       O7_5  0.7400 254   3   0 254   3   0  20  0
162       O7_6  0.7400 254   3   0 254   3   0  20  0
163       O7_7  0.7400 254   3   0 254   3   0  20  0
164       O7_8  0.7400 254   3   0 254   3   0  20  0
165       O8_1  0.7400 254   3   0 254   3   0  20  0
166       O8_2  0.7400 254   3   0 254   3   0  20  0
167       O8_3  0.7400 254   3   0 254   3   0  20  0
168       O8_4  0.7400 254   3   0 254   3   0  20  0
169       O8_5  0.7400 254   3   0 254   3   0  20  0
170       O8_6  0.7400 254   3   0 254   3   0  20  0
171       O8_7  0.7400 254   3   0 254   3   0  20  0
172       O8_8  0.7400 254   3   0 254   3   0  20  0
173       O9_1  0.7400 254   3   0 254   3   0  20  0
174       O9_2  0.7400 254   3   0 254   3   0  20  0
175       O9_3  0.7400 254   3   0 254   3   0  20  0
176       O9_4  0.7400 254   3   0 254   3   0  20  0
177       O9_5  0.7400 254   3   0 254   3   0  20  0
178       O9_6  0.7400 254   3   0 254   3   0  20  0
179       O9_7  0.7400 254   3   0 254   3   0  20  0
180       O9_8  0.7400 254   3   0 254   3   0  20  0
181      O10_1  0.7400 254   3   0 254   3   0  20  0
182      O10_2  0.7400 254   3   0 254   3   0  20  0
183      O10_3  0.7400 254   3   0 254   3   0  20  0
184      O10_4  0.7400 254   3   0 254   3   0  20  0
185      O10_5  0.7400 254   3   0 254   3   0  20  0
186      O10_6  0.7400 254   3   0 254   3   0  20  0
187      O10_7  0.7400 254   3   0 254   3   0  20  0
188      O10_8  0.7400 254   3   0 254   3   0  20  0
189      O11_1  0.7400 254   3   0 254   3   0  20  0
190      O11_2  0.7400 254   3   0 254   3   0  20  0
191      O11_3  0.7400 254   3   0 254   3   0  20  0
192      O11_4  0.7400 254   3   0 254   3   0  20  0
193      O11_5  0.7400 254   3   0 254   3   0  20  0
194      O11_6  0.7400 254   3   0 254   3   0  20  0
195      O11_7  0.7400 254   3   0 254   3   0  20  0
196      O11_8  0.7400 254   3   0 254   3   0  20  0
197      O12_1  0.7400 254   3   0 254   3   0  20  0
198      O12_2  0.7400 254   3   0 254   3   0  20  0
199      O12_3  0.7400 254   3   0 254   3   0  20  0
200      O12_4  0.7400 254   3   0 254   3   0  20  0
201      O12_5  0.7400 254   3   0 254   3   0  20  0
202      O12_6  0.7400 254   3   0 254   3   0  20  0
203      O12_7  0.7400 254   3   0 254   3   0  20  0
204      O12_8  0.7400 254   3   0 254   3   0  20  0
205      O13_1  0.7400 254   3   0 254   3   0  20  0
206      O13_2  0.7400 254   3   0 254   3   0  20  0
207      O13_3  0.7400 254   3   0 254   3   0  20  0
208      O13_4  0.7400 254   3   0 254   3   0  20  0
209      O13_5  0.7400 254   3   0 254   3   0  20  0
210      O13_6  0.7400 254   3   0 254   3   0  20  0
211      O13_7  0.7400 254   3   0 254   3   0  20  0
212      O13_8  0.7400 254   3   0 254   3   0  20  0
213      O14_1  0.7400 254   3   0 254   3   0  20  0
214      O14_2  0.7400 254   3   0 254   3   0  20  0
215      O14_3  0.7400 254   3   0 254   3   0  20  0
216      O14_4  0.7400 254   3   0 254   3   0  20  0
217      O14_5  0.7400 254   3   0 254   3   0  20  0
218      O14_6  0.7400 254   3   0 254   3   0  20  0
219      O14_7  0.7400 254   3   0 254   3   0  20  0
220      O14_8  0.7400 254   3   0 254   3   0  20  0
221      O15_1  0.7400 254   3   0 254   3   0  20  0
222      O15_2  0.7400 254   3   0 254   3   0  20  0
223      O15_3  0.7400 254   3   0 254   3   0  20  0
224      O15_4  0.7400 254   3   0 254   3   0  20  0
225      O15_5  0.7400 254   3   0 254   3   0  20  0
226      O15_6  0.7400 254   3   0 254   3   0  20  0
227      O15_7  0.7400 254   3   0 254   3   0  20  0
228      O15_8  0.7400 254   3   0 254   3   0  20  0
229      O16_1  0.7400 254   3   0 254   3   0  20  0
230      O16_2  0.7400 254   3   0 254   3   0  20  0
231      O16_3  0.7400 254   3   0 254   3   0  20  0
232      O16_4  0.7400 254   3   0 254   3   0  20  0
233      O16_5  0.7400 254   3   0 254   3   0  20  0
234      O16_6  0.7400 254   3   0 254   3   0  20  0
235      O16_7  0.7400 254   3   0 254   3   0  20  0
236      O16_8  0.7400 254   3   0 254   3   0  20  0
237      O17_1  0.7400 254   3   0 254   3   0  20  0
238      O17_2  0.7400 254   3   0 254   3   0  20  0
239      O17_3  0.7400 254   3   0 254   3   0  20  0
240      O17_4  0.7400 254   3   0 254   3   0  20  0
241      O17_5  0.7400 254   3   0 254   3   0  20  0
242      O17_6  0.7400 254   3   0 254   3   0  20  0
243      O17_7  0.7400 254   3   0 254   3   0  20  0
244      O17_8  0.7400 254   3   0 254   3   0  20  0
245      O18_1  0.7400 254   3   0 254   3   0  20  0
246      O18_2  0.7400 254   3   0 254   3   0  20  0
247      O18_3  0.7400 254   3   0 254   3   0  20  0
248      O18_4  0.7400 254   3   0 254   3   0  20  0
249      O18_5  0.7400 254   3   0 254   3   0  20  0
250      O18_6  0.7400 254   3   0 254   3   0  20  0
251      O18_7  0.7400 254   3   0 254   3   0  20  0
252      O18_8  0.7400 254   3   0 254   3   0  20  0
  0 0 0 0 0 0
VECTR
   1    1.02783    0.00000    1.45654 0
   57   0    0    0    0
 0 0 0 0 0
   2   -1.02783    0.00000   -1.45654 0
   58   0    0    0    0
 0 0 0 0 0
   3    1.02783    0.00000    1.45654 0
   59   0    0    0    0
 0 0 0 0 0
   4   -1.02783    0.00000   -1.45654 0
   60   0    0    0    0
 0 0 0 0 0
   5   -1.02783    0.00000   -1.45654 0
   61   0    0    0    0
 0 0 0 0 0
   6    1.02783    0.00000    1.45654 0
   62   0    0    0    0
 0 0 0 0 0
   7   -1.02783    0.00000   -1.45654 0
   63   0    0    0    0
 0 0 0 0 0
   8    1.02783    0.00000    1.45654 0
   64   0    0    0    0
 0 0 0 0 0
   9   -0.81259    0.00000   -1.11486 0
   65   0    0    0    0
 0 0 0 0 0
  10    0.81259    0.00000    1.11486 0
   66   0    0    0    0
 0 0 0 0 0
  11   -0.81259    0.00000   -1.11486 0
   67   0    0    0    0
 0 0 0 0 0
  12    0.81259    0.00000    1.11486 0
   68   0    0    0    0
 0 0 0 0 0
  13    0.81259    0.00000    1.11486 0
   69   0    0    0    0
 0 0 0 0 0
  14   -0.81259    0.00000   -1.11486 0
   70   0    0    0    0
 0 0 0 0 0
  15    0.81259    0.00000    1.11486 0
   71   0    0    0    0
 0 0 0 0 0
  16   -0.81259    0.00000   -1.11486 0
   72   0    0    0    0
 0 0 0 0 0
  17    0.68845    0.00000    1.02645 0
   73   0    0    0    0
 0 0 0 0 0
  18   -0.68845    0.00000   -1.02645 0
   74   0    0    0    0
 0 0 0 0 0
  19    0.68845    0.00000    1.02645 0
   75   0    0    0    0
 0 0 0 0 0
  20   -0.68845    0.00000   -1.02645 0
   76   0    0    0    0
 0 0 0 0 0
  21   -0.68845    0.00000   -1.02645 0
   77   0    0    0    0
 0 0 0 0 0
  22    0.68845    0.00000    1.02645 0
   78   0    0    0    0
 0 0 0 0 0
  23   -0.68845    0.00000   -1.02645 0
   79   0    0    0    0
 0 0 0 0 0
  24    0.68845    0.00000    1.02645 0
   80   0    0    0    0
 0 0 0 0 0
  25    0.81149    0.00000    1.24374 0
   81   0    0    0    0
 0 0 0 0 0
  26   -0.81149    0.00000   -1.24374 0
   82   0    0    0    0
 0 0 0 0 0
  27    0.81149    0.00000    1.24374 0
   83   0    0    0    0
 0 0 0 0 0
  28   -0.81149    0.00000   -1.24374 0
   84   0    0    0    0
 0 0 0 0 0
  29   -0.81149    0.00000   -1.24374 0
   85   0    0    0    0
 0 0 0 0 0
  30    0.81149    0.00000    1.24374 0
   86   0    0    0    0
 0 0 0 0 0
  31   -0.81149    0.00000   -1.24374 0
   87   0    0    0    0
 0 0 0 0 0
  32    0.81149    0.00000    1.24374 0
   88   0    0    0    0
 0 0 0 0 0
  33   -1.02685    0.00000   -1.41501 0
   89   0    0    0    0
 0 0 0 0 0
  34    1.02685    0.00000    1.41501 0
   90   0    0    0    0
 0 0 0 0 0
  35   -1.02685    0.00000   -1.41501 0
   91   0    0    0    0
 0 0 0 0 0
  36    1.02685    0.00000    1.41501 0
   92   0    0    0    0
 0 0 0 0 0
  37    1.02685    0.00000    1.41501 0
   93   0    0    0    0
 0 0 0 0 0
  38   -1.02685    0.00000   -1.41501 0
   94   0    0    0    0
 0 0 0 0 0
  39    1.02685    0.00000    1.41501 0
   95   0    0    0    0
 0 0 0 0 0
  40   -1.02685    0.00000   -1.41501 0
   96   0    0    0    0
 0 0 0 0 0
  41   -0.59619    0.00000   -1.54337 0
   97   0    0    0    0
 0 0 0 0 0
  42    0.59619    0.00000    1.54337 0
   98   0    0    0    0
 0 0 0 0 0
  43   -0.59619    0.00000   -1.54337 0
   99   0    0    0    0
 0 0 0 0 0
  44    0.59619    0.00000    1.54337 0
  100   0    0    0    0
 0 0 0 0 0
  45    0.59619    0.00000    1.54337 0
  101   0    0    0    0
 0 0 0 0 0
  46   -0.59619    0.00000   -1.54337 0
  102   0    0    0    0
 0 0 0 0 0
  47    0.59619    0.00000    1.54337 0
  103   0    0    0    0
 0 0 0 0 0
  48   -0.59619    0.00000   -1.54337 0
  104   0    0    0    0
 0 0 0 0 0
  49    0.55611    0.00000    1.79926 0
  105   0    0    0    0
 0 0 0 0 0
  50   -0.55611    0.00000   -1.79926 0
  106   0    0    0    0
 0 0 0 0 0
  51    0.55611    0.00000    1.79926 0
  107   0    0    0    0
 0 0 0 0 0
  52   -0.55611    0.00000   -1.79926 0
  108   0    0    0    0
 0 0 0 0 0
  53   -0.55611    0.00000   -1.79926 0
  109   0    0    0    0
 0 0 0 0 0
  54    0.55611    0.00000    1.79926 0
  110   0    0    0    0
 0 0 0 0 0
  55   -0.55611    0.00000   -1.79926 0
  111   0    0    0    0
 0 0 0 0 0
  56    0.55611    0.00000    1.79926 0
  112   0    0    0    0
 0 0 0 0 0
 0 0 0 0 0
VECTT
   1  0.500 255   0   0 1
   2  0.500 255   0   0 1
   3  0.500 255   0   0 1
   4  0.500 255   0   0 1
   5  0.500 255   0   0 1
   6  0.500 255   0   0 1
   7  0.500 255   0   0 1
   8  0.500 255   0   0 1
   9  0.500 255   0   0 1
  10  0.500 255   0   0 1
  11  0.500 255   0   0 1
  12  0.500 255   0   0 1
  13  0.500 255   0   0 1
  14  0.500 255   0   0 1
  15  0.500 255   0   0 1
  16  0.500 255   0   0 1
  17  0.500 255   0   0 1
  18  0.500 255   0   0 1
  19  0.500 255   0   0 1
  20  0.500 255   0   0 1
  21  0.500 255   0   0 1
  22  0.500 255   0   0 1
  23  0.500 255   0   0 1
  24  0.500 255   0   0 1
  25  0.500 255   0   0 1
  26  0.500 255   0   0 1
  27  0.500 255   0   0 1
  28  0.500 255   0   0 1
  29  0.500 255   0   0 1
  30  0.500 255   0   0 1
  31  0.500 255   0   0 1
  32  0.500 255   0   0 1
  33  0.500 255   0   0 1
  34  0.500 255   0   0 1
  35  0.500 255   0   0 1
  36  0.500 255   0   0 1
  37  0.500 255   0   0 1
  38  0.500 255   0   0 1
  39  0.500 255   0   0 1
  40  0.500 255   0   0 1
  41  0.500 255   0   0 1
  42  0.500 255   0   0 1
  43  0.500 255   0   0 1
  44  0.500 255   0   0 1
  45  0.500 255   0   0 1
  46  0.500 255   0   0 1
  47  0.500 255   0   0 1
  48  0.500 255   0   0 1
  49  0.500 255   0   0 1
  50  0.500 255   0   0 1
  51  0.500 255   0   0 1
  52  0.500 255   0   0 1
  53  0.500 255   0   0 1
  54  0.500 255   0   0 1
  55  0.500 255   0   0 1
  56  0.500 255   0   0 1
 0 0 0 0 0
SPLAN
  0   0   0   0
LBLAT
 -1
LBLSP
 -1
DLATM
 -1
DLBND
 -1
DLPLY
 -1
PLN2D
  0   0   0   0
ATOMT
  0 0 0 0 0 0
SCENE
-0.153210  0.000000  0.988194  0.000000
 0.988194 -0.000000  0.153210  0.000000
 0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
  0.000   0.000
  0.000
  1.611
HBOND 0 2

STYLE
DISPF 16479
MODEL   2  1  0
SURFS   0  1  1
SECTS  96  1
FORMS   0  1
ATOMS   0  0
BONDS   1
POLYS   2
FORMP
  1  1.0   0   0   0
ATOMP
 24  24   0  50  2.0   0
BONDP
  1  16  0.250  1.000 180 180 180
POLYP
  20 1  1.000  34  34  34
TEX3P
  1  0.00000E+00  1.00000E+00
SECTP
  1  5.00000E-01  5.00000E-01  0.00000E+00
HKLPP
 192 1  1.000 255   0 255
UCOLP
   0   1  1.000   0   0   0
COMPS 1
LABEL 1    12  1.000 0
PROJT 0  0.962
BKGRC
 255 255 255
DPTHQ 1 -0.5000  3.5000
LIGHT0 1
 1.000000  0.000000  0.000000  0.000000
 0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
 0.000000  0.000000 20.000000  0.000000
 0.000000  0.000000 -1.000000
  26  26  26 255
 179 179 179 255
 255 255 255 255
LIGHT1
 1.000000  0.000000  0.000000  0.000000
 0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
 0.000000  0.000000 20.000000  0.000000
 0.000000  0.000000 -1.000000
   0   0   0   0
   0   0   0   0
   0   0   0   0
LIGHT2
 1.000000  0.000000  0.000000  0.000000
 0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
 0.000000  0.000000 20.000000  0.000000
 0.000000  0.000000 -1.000000
   0   0   0   0
   0   0   0   0
   0   0   0   0
LIGHT3
 1.000000  0.000000  0.000000  0.000000
 0.000000  1.000000  0.000000  0.000000
 0.000000  0.000000  1.000000  0.000000
 0.000000  0.000000  0.000000  1.000000
 0.000000  0.000000 20.000000  0.000000
 0.000000  0.000000 -1.000000
   0   0   0   0
   0   0   0   0
   0   0   0   0
ATOMM
 204 204 204 255
  25.600
BONDM
 255 255 255 255
 128.000
POLYM
 255 255 255 255
 128.000
SURFM
   0   0   0 255
 128.000
FORMM
 255 255 255 255
 128.000
HKLPM
 255 255 255 255
 128.000
