{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1340141 -6.6770438 -14.3114286 ] [ -14.5436036 8.0563581 -4.879138 ] [ 1.0761671 -7.1085569 15.6064294 ] [ -3.5890122 10.4829879 -10.0503386 ] [ 5.3514386 -5.1046948 2.3535871 ] [ 7.9904165 4.5791033 -3.1443893 ] [ 0.5805795 -4.2281537 14.425278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.021244161646539e-09 -1.069780356055457e-08 -2.292943650207933e-08 ] [ -2.330142186207828e-08 1.290770870295663e-08 -7.817240897661491e-09 ] [ 1.724209781899541e-09 -1.138916376663947e-08 2.500425652485064e-08 ] [ -5.750231485980934e-09 1.679559826788473e-08 -1.610241766870827e-08 ] [ 8.573949883205671e-09 -8.178622732261302e-09 3.770862257703821e-09 ] [ 1.280205861222806e-08 7.336532311932292e-09 -5.037867064659616e-09 ] [ 9.301909090794029e-10 -6.774249063100645e-09 2.311184335055425e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.868475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.40233352221315e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2952309 1.7343197 1.1857941 ] [ 0.5740819 3.5597345 1.3821494 ] [ 2.507646 1.1309521 3.5260817 ] [ 2.5436673 4.7161767 2.4609278 ] [ 4.6675781 0.1213063 3.7336275 ] [ 4.1599759 3.4160334 1.0195554 ] [ 2.7013198 3.3761462 4.5510182 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2952309e-10 1.7343197e-10 1.1857941e-10 ] [ 5.740819000000001e-11 3.5597345e-10 1.3821494e-10 ] [ 2.507646e-10 1.1309521e-10 3.526081700000001e-10 ] [ 2.5436673e-10 4.7161767e-10 2.4609278e-10 ] [ 4.6675781e-10 1.213063e-11 3.7336275e-10 ] [ 4.1599759e-10 3.4160334e-10 1.0195554e-10 ] [ 2.7013198e-10 3.3761462e-10 4.5510182e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.89e-05 -8e-07 -2.87e-05 ] [ 1.5e-06 2.23e-05 -2.93e-05 ] [ 4.05e-05 -1.56e-05 1.25e-05 ] [ -5e-07 3.7e-06 1.09e-05 ] [ -1.36e-05 1.58e-05 2.84e-05 ] [ -2.42e-05 -2.3e-06 -7.2e-06 ] [ 1.52e-05 -2.3e-05 1.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.02811383826e-14 -1.2817413072e-15 -4.598246939579999e-14 ] [ 2.403264951e-15 3.572853893819999e-14 -4.69437753762e-14 ] [ 6.4888153677e-14 -2.49939554904e-14 2.0027207925e-14 ] [ -8.010883169999999e-16 5.9280535458e-15 1.74637253106e-14 ] [ -2.17896022224e-14 2.53143908172e-14 4.550181640559999e-14 ] [ -3.877267454279999e-14 -3.685006258199999e-15 -1.15356717648e-14 ] [ 2.43530848368e-14 -3.6850062582e-14 2.14691668956e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.528281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288993215438615e-18 } }