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Commit 3880bd3

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-9
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Lines changed: 4 additions & 4 deletions
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etotref -378.4158765482866329
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etotref -378.4158765483138041
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etotperatomref -126.1386255161
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totalforceref 1005.224495
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totalstressref 2123.397548
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totalforceref 1005.224987
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totalstressref 2123.397579
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pointgroupref C_2v
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spacegroupref C_2v
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nksibzref 1
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totaltimeref 1.05
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totaltimeref 0.92
Lines changed: 5 additions & 5 deletions
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etotref -30.6144125397493490
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etotperatomref -15.3072062699
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totalforceref 7.577502
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totalstressref 84.027190
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totaltimeref 0.47
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etotref -30.6144125394732107
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etotperatomref -15.3072062697
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totalforceref 7.577494
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totalstressref 84.029412
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totaltimeref 0.30

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