{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5794741 -4.2246638 -4.4561395 ] [ -6.012899 -2.9864884 6.5107577 ] [ -4.5912808 0.7177349 -3.1110558 ] [ 1.9155742 -2.2341819 -10.4175836 ] [ 4.5323746 -11.3854854 9.7428917 ] [ -5.5374895 15.1592953 -4.2642939 ] [ 10.2731947 4.9537892 5.9954234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.284198553791212e-10 -6.768657571100087e-09 -7.139522525923401e-09 ] [ -9.633726201031699e-09 -4.784881892770398e-09 1.043138377063358e-08 ] [ -7.356042757287921e-09 1.149938076712226e-09 -4.98446086876424e-09 ] [ 3.069088198647664e-09 -3.579554006794523e-09 -1.66908088891495e-08 ] [ 7.261664620827752e-09 -1.824155852433974e-08 1.560983330072637e-08 ] [ -8.872036214825484e-09 2.428786851746332e-08 -6.832151990800054e-09 ] [ 1.645947236926647e-08 7.936845240611536e-09 9.605727203277247e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8217898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.253188875037191e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.080628 1.3093265 0.8359965 ] [ 1.9451738 2.0075772 4.4689529 ] [ 1.4703651 3.2386548 2.3535515 ] [ 4.3992582 2.030194 1.5457014 ] [ 4.392566 1.8933146 4.0072955 ] [ 3.6438847 4.3361524 1.9668439 ] [ 4.7736323 4.3838975 4.2297593 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.080628e-10 1.3093265e-10 8.359965e-11 ] [ 1.9451738e-10 2.0075772e-10 4.4689529e-10 ] [ 1.4703651e-10 3.2386548e-10 2.3535515e-10 ] [ 4.3992582e-10 2.030194e-10 1.5457014e-10 ] [ 4.392566e-10 1.8933146e-10 4.0072955e-10 ] [ 3.6438847e-10 4.3361524e-10 1.9668439e-10 ] [ 4.7736323e-10 4.3838975e-10 4.2297593e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 4.9e-06 4.2e-06 ] [ 1.3e-06 7.4e-06 -1.54e-05 ] [ -1.69e-05 7.4e-06 7.1e-06 ] [ 6.9e-06 -1.11e-05 -8e-07 ] [ 2.07e-05 -4.7e-06 1.13e-05 ] [ 3.5e-06 5.9e-06 1.05e-05 ] [ -1.79e-05 -9.8e-06 -1.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.84522388992e-15 7.850665441919999e-15 6.72914180736e-15 ] [ 2.08282960704e-15 1.185610699392e-14 -2.467351996032e-14 ] [ -2.707678489152e-14 1.185610699392e-14 1.137545400768e-14 ] [ 1.105501868352e-14 -1.778416049088e-14 -1.28174129664e-15 ] [ 3.316505605055999e-14 -7.53023011776e-15 1.810459581504e-14 ] [ 5.6076181728e-15 9.45284206272e-15 1.68228545184e-14 ] [ -2.867896151232001e-14 -1.570133088384e-14 -2.72370025536e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }