{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.993524 1.997967 0.9576204 ] [ 2.385878 2.876706 2.947868 ] [ 2.853087 4.16342 1.184171 ] [ 3.781435 0.9707609 1.823891 ] [ 5.674201 1.959984 2.894152 ] [ 4.915062 3.13192 0.9889037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.993524e-10 1.997967e-10 9.576204e-11 ] [ 2.385878e-10 2.876706e-10 2.947868e-10 ] [ 2.853087e-10 4.16342e-10 1.184171e-10 ] [ 3.781435e-10 9.707609000000001e-11 1.823891e-10 ] [ 5.674201e-10 1.959984e-10 2.894152e-10 ] [ 4.915062e-10 3.13192e-10 9.889037000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0539083 -0.235848 -1.4342469 ] [ -0.0511914 -0.2415349 1.9218971 ] [ 0.5011553 0.7366543 -0.683077 ] [ 1.1191094 -0.301299 0.6908692 ] [ -0.8295374 0.2057028 -0.7510624 ] [ 0.3143724 -0.1636752 0.25562 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.688547238727073e-09 -3.778701516624384e-10 -2.297916851634876e-09 ] [ -8.201766426602112e-11 -3.869815698872659e-10 3.07921860120332e-09 ] [ 8.029393050500101e-10 1.18025029707179e-09 -1.094409999606202e-09 ] [ 1.793010916797515e-09 -4.827342136704192e-10 1.106894480270799e-09 ] [ -1.329065428359218e-09 3.295722169930982e-10 -1.203334618041938e-09 ] [ 5.036801095047859e-10 -2.622365788447641e-10 4.095483878088961e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.444522 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.794920530943126e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9890745 1.8692171 0.6686745 ] [ 3.0806966 2.8604142 3.1347781 ] [ 2.8879368 3.9457053 1.0875707 ] [ 3.2606456 0.6976069 2.1815143 ] [ 5.213881 1.9847874 2.5943642 ] [ 5.1709524 3.7430271 1.1297043 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9890745e-10 1.8692171e-10 6.686745e-11 ] [ 3.0806966e-10 2.8604142e-10 3.1347781e-10 ] [ 2.8879368e-10 3.9457053e-10 1.0875707e-10 ] [ 3.2606456e-10 6.976069000000001e-11 2.1815143e-10 ] [ 5.213881e-10 1.9847874e-10 2.5943642e-10 ] [ 5.1709524e-10 3.7430271e-10 1.1297043e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.03e-05 -4.2e-06 2.07e-05 ] [ -7.5e-06 4.2e-06 -2.07e-05 ] [ 6.2e-06 1.27e-05 4.3e-06 ] [ -6.5e-06 -1.21e-05 3.1e-06 ] [ -5e-06 -1e-05 -6.6e-06 ] [ -7.5e-06 9.4e-06 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.252418540224e-14 -6.72914180736e-15 3.316505605055999e-14 ] [ -1.2016324656e-14 6.72914180736e-15 -3.316505605055999e-14 ] [ 9.93349504896e-15 2.034764308416e-14 6.889359469440001e-15 ] [ -1.04141480352e-14 -1.938633711168e-14 4.96674752448e-15 ] [ -8.010883104e-15 -1.6021766208e-14 -1.057436569728e-14 ] [ -1.2016324656e-14 1.506046023552e-14 -1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.48669 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961894251397715e-18 } }