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update 04_NO_KP_GTH
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etotref -211.6087208400119266
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etotperatomref -105.8043604200
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totalforceref 0.143742
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totalstressref 369.767775
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totaltimeref 0.96
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etotref -211.6088914359056901
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etotperatomref -105.8044457180
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totalforceref 0.143706
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totalstressref 369.626052
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totaltimeref 2.31

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