./Stage_1/0.005_+e6 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 0.0336768500000000 0.0000000000000000
0.0336768500000000 13.4707392099999996 0.0000000000000000
0.0000000000000000 0.0000000000000000 13.4707392099999996
C N O H
110 10 25 52
Direct
0.9357322160767764 0.4449922875391186 0.8811425070306593
0.0221649780317902 0.4966756411148383 0.9255183175136368
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