{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.697876 3.711698 1.143091 ] [ 3.423522 2.241155 2.183353 ] [ 3.951754 3.941629 0.5726112 ] [ 3.96365 5.193256 2.218192 ] [ 5.084028 3.36384 3.521791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.697876e-10 3.711698e-10 1.143091e-10 ] [ 3.423522e-10 2.241155e-10 2.183353e-10 ] [ 3.951754000000001e-10 3.941629e-10 5.726112e-11 ] [ 3.96365e-10 5.193256e-10 2.218192e-10 ] [ 5.084028e-10 3.36384e-10 3.521791e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2918062 -0.3744938 -0.8270436 ] [ 1.0635276 -1.9613567 2.9854813 ] [ 2.811503 0.9731536 -5.4080562 ] [ 2.3221903 0.5222853 3.6783713 ] [ -0.9054147 0.8404116 -0.4287528 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.47840817544449e-09 -6.00005210994551e-10 -1.325069920302267e-09 ] [ 1.703959056295534e-09 -3.142439849789439e-09 4.783268340695591e-09 ] [ 4.504524375909062e-09 1.559163946367355e-09 -8.66466120761249e-09 ] [ 3.720559007708538e-09 8.367932970475141e-10 5.893400499481702e-09 ] [ -1.450634264468646e-09 1.346487817369121e-09 -6.869377122625383e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.593368 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.017679978673086e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5607595 3.1588203 1.0188506 ] [ 3.4513206 2.1891854 2.1452694 ] [ 3.6129744 4.3153569 0.5350663 ] [ 4.8190382 5.3303197 2.2609295 ] [ 4.6767374 3.4578957 3.6789224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5607595e-10 3.1588203e-10 1.0188506e-10 ] [ 3.4513206e-10 2.1891854e-10 2.1452694e-10 ] [ 3.6129744e-10 4.3153569e-10 5.350663e-11 ] [ 4.8190382e-10 5.330319700000001e-10 2.2609295e-10 ] [ 4.6767374e-10 3.4578957e-10 3.6789224e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.47e-05 7.1e-06 2.72e-05 ] [ -1.17e-05 1.02e-05 -5.64e-05 ] [ -4.9e-06 -4.72e-05 1.3e-06 ] [ 6.1e-06 1.44e-05 1.55e-05 ] [ -4.3e-06 1.55e-05 1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.355199632576e-14 1.137545400768e-14 4.357920408576e-14 ] [ -1.874546646336e-14 1.634220153216e-14 -9.036276141312001e-14 ] [ -7.850665441919999e-15 -7.562273650176e-14 2.08282960704e-15 ] [ 9.77327738688e-15 2.307134333952e-14 2.48337376224e-14 ] [ -6.889359469440001e-15 2.48337376224e-14 2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.844323 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.378322726220372e-18 } }