./Stage_1/0.005_-e4 CONTCAR output for 744: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-3)
Status:
finished
MT amorphous(poly(oxydiphenylene_pyromel
1.00000000000000
13.4707392099999996 0.0000000000000000 0.0000000000000000
0.0000000000000000 13.4707392099999996 -0.0336768500000000
0.0000000000000000 -0.0336768500000000 13.4707392099999996
C N O H
110 10 25 52
Direct
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0.0218860982750336 0.4964593349657333 0.9252516513096861
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