./Stage_1/0.005_-e2 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 13.4033855099999997 0.0000000000000000
0.0000000000000000 0.0000000000000000 13.4707392099999996
C N O H
110 10 25 52
Direct
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0.0205615427685639 0.4948659853523860 0.9266471845701171
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