Input 23-go-na2.04-fire_restart.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Total energy -4.177745300000000e-01 -4.177745000000000e-01 2.090000000000000e-07 -2.999999998420932e-08 PASS
Force [1] 4.960734700000001e-04 4.960720165000000e-04 1.600000000000000e-09 1.453500000046792e-09 PASS
Force [2] -4.960734700000001e-04 -4.960720165000000e-04 1.600000000000000e-09 -1.453500000046792e-09 PASS
Geometry [1] -1.475345000000000e+00 -1.475345000000000e+00 7.380000000000000e-06 2.220446049250313e-16 PASS
Geometry [2] 1.475345000000000e+00 1.475345500000000e+00 5.500000000000000e-07 -5.000000000698890e-07 PASS
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