2 2 1 0
0.1988742E+02 0.3831550E-09 0.3831550E-09 0.3831550E-09 0.5000000E-15
1.000000000000000E-004
CAR
(Si)8 (Fd-3m) ~ Si (GPU)
18.45312656 -8.18441112 301 5.82275289 1.00000000
-8.184 0.0000E+00 0.0000E+00
-8.096 0.0000E+00 0.0000E+00
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0.784 -0.1005E-03 0.4461E-02
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0.961 -0.3169E-04 0.4452E-02
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1.583 0.7297E-03 0.4754E-02
1.671 0.2066E-02 0.4938E-02
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2.826 0.2700E-02 0.6697E-02
2.915 0.2124E-02 0.6886E-02
3.003 0.3077E-02 0.7159E-02
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3.270 0.1126E-02 0.7882E-02
3.359 -0.6730E-04 0.7876E-02
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3.980 0.1945E-02 0.8639E-02
4.069 0.1846E-02 0.8803E-02
4.158 0.1388E-02 0.8926E-02
4.246 0.9075E-03 0.9007E-02
4.335 0.5279E-03 0.9053E-02
4.424 0.5750E-03 0.9105E-02
4.513 0.1035E-02 0.9196E-02
4.602 0.1230E-02 0.9306E-02
4.690 0.1007E-02 0.9395E-02
4.779 0.8844E-03 0.9474E-02
4.868 0.9246E-03 0.9556E-02
4.957 0.9988E-03 0.9644E-02
5.046 0.1220E-02 0.9753E-02
5.134 0.1261E-02 0.9865E-02
5.223 0.7790E-03 0.9934E-02
5.312 0.1859E-03 0.9950E-02
5.401 -0.6426E-04 0.9945E-02
5.490 -0.2151E-04 0.9943E-02
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5.845 0.8066E-04 0.1000E-01
5.933 -0.1618E-04 0.9999E-02
6.022 -0.3206E-04 0.9996E-02
6.111 0.7135E-04 0.1000E-01
6.200 0.3040E-03 0.1003E-01
6.289 0.4748E-03 0.1007E-01
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6.466 0.1183E-03 0.1011E-01
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7.976 0.3701E-03 0.1190E-01
8.064 -0.2068E-04 0.1189E-01
8.153 0.5081E-04 0.1190E-01
8.242 0.1658E-03 0.1191E-01
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8.420 0.5786E-03 0.1199E-01
8.508 0.8850E-03 0.1207E-01
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9.929 0.2268E-02 0.1509E-01
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11.616 0.5838E-03 0.1814E-01
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