{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.109941 1.98713 2.733868 ] [ 1.585411 0.9055996 0.7031416 ] [ 2.255239 0.4517476 2.903783 ] [ 2.131264 2.335298 0.7662027 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.109941e-10 1.98713e-10 2.733868e-10 ] [ 1.585411e-10 9.055996e-11 7.031416000000001e-11 ] [ 2.255239e-10 4.517476000000001e-11 2.903783e-10 ] [ 2.131264e-10 2.335298e-10 7.662027e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4774251 13.4641138 19.1716156 ] [ 18.2453116 47.3006415 -17.784908 ] [ 11.1271534 -16.8154616 16.5572803 ] [ -13.8950399 -43.9492937 -17.9439878 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.47975686454031e-08 2.157188835015065e-08 3.071631429728457e-08 ] [ 2.923221168473104e-08 7.578398196014224e-08 -2.849456380067889e-08 ] [ 1.782766503353523e-08 -2.694133944348016e-08 2.652768740069241e-08 ] [ -2.226230807286317e-08 -7.041453086681272e-08 -2.874943773708043e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 140.73103 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.254759660871034e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.9140483 2.1578091 2.9758774 ] [ 1.8858739 1.6416299 0.5092697 ] [ 2.3960589 0.2387063 3.1125785 ] [ 1.8858739 1.6416299 0.5092697 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.140483000000001e-11 2.1578091e-10 2.9758774e-10 ] [ 1.8858739e-10 1.6416299e-10 5.092697000000001e-11 ] [ 2.3960589e-10 2.387063e-11 3.1125785e-10 ] [ 1.8858739e-10 1.6416299e-10 5.092697000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -11.7419714 10.985945 13.4468159 ] [ 1.7684537 1.2649844 -1.8087366456817632e+115 ] [ 8.2050641 -13.5159139 10.7126629 ] [ 1.7684537 1.2649844 1.8087366456817632e+115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.881271205918225e-08 1.760142423639465e-08 2.154417405918171e-08 ] [ 2.833375173107257e-09 2.026728431356716e-09 -2.897915566895534e+106 ] [ 1.314596187318539e-08 -2.165488125932575e-08 1.716357804489153e-08 ] [ 2.833375173107257e-09 2.026728431356716e-09 2.897915566895534e+106 ] ] } "relaxed-potential-energy" { "source-value" -3.3468351e+98 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.362220950892831e+79 } }