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10Â¥: Originally posted by reinecao at 2014-10-09 22:11:57
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reinecao

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12Â¥: Originally posted by xp2012808 at 2014-10-09 22:18:44
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22Â¥2014-10-11 21:09:37
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reinecao

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16Â¥: Originally posted by xp2012808 at 2014-10-09 22:26:02
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reinecao

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18Â¥: Originally posted by jackdeng at 2014-10-10 08:22:49
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reinecao

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19Â¥: Originally posted by Ã÷¹â at 2014-10-10 08:51:32
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reinecao

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20Â¥: Originally posted by heihu120 at 2014-10-10 08:51:57
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reinecao

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21Â¥: Originally posted by maonaxi at 2014-10-10 21:09:00
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21Â¥: Originally posted by maonaxi at 2014-10-10 21:09:00
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reinecao

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12Â¥: Originally posted by xp2012808 at 2014-10-09 22:18:44
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TITL JJ in C2/c
CELL 0.71073  19.7049  14.1790  23.4804  90.000 105.644  90.000
ZERR   58.00   0.0017   0.0012   0.0020   0.000   0.005   0.000
LATT 7
SYMM -X, Y, 0.5-Z
SFAC C  H  N  O  S  Ni
UNIT 58 58 58 58 58 58

V =     6317.30     F(000) =    3828.0     Mu =   4.74 mm-1      Cell Wt =     7760.28    Rho =  2.040






CELL 0.71073  12.1040  20.7230  25.5072  90.000  90.000  90.000
ZERR   60.00   0.0005   0.0008   0.0010   0.000   0.000   0.000
LATT 1
SYMM 0.5-X, 0.5-Y, Z
SYMM 0.5-X, Y, 0.5-Z
SYMM X, 0.5-Y, 0.5-Z
SFAC C  H  N  O  S  Ni
UNIT 60 60 60 60 60 60

V =     6398.00     F(000) =    3960.0     Mu =   4.84 mm-1      Cell Wt =     8027.88    Rho =  2.084







CELL 0.71073  19.4147  19.4147  19.4147  90.000  90.000  90.000
ZERR   81.00   0.0015   0.0015   0.0015   0.000   0.000   0.000
LATT 1
SYMM 0.5-X, -Y, 0.5+Z
SYMM -X, 0.5+Y, 0.5-Z
SYMM 0.5+X, 0.5-Y, -Z
SYMM Z, X, Y
SYMM 0.5+Z, 0.5-X, -Y
SYMM 0.5-Z, -X, 0.5+Y
SYMM -Z, 0.5+X, 0.5-Y
SYMM Y, Z, X
SYMM -Y, 0.5+Z, 0.5-X
SYMM 0.5+Y, 0.5-Z, -X
SYMM 0.5-Y, -Z, 0.5+X
SFAC C  H  N  S  Ni O
UNIT 81 81 81 81 81 81

V =     7317.99     F(000) =    5346.0     Mu =   5.72 mm-1      Cell Wt =    10837.64    Rho =  2.459
30Â¥2014-10-12 14:07:40
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