{ "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" [ [ 2.488897 2.770028 3.014921 ] [ 0.2049674 2.791914 3.698619 ] [ 0.8141582 3.850123 1.870554 ] [ 0.3012674 5.24423 3.479153 ] [ 2.657762 5.04937 3.20133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.488897e-10 2.770028e-10 3.014921e-10 ] [ 2.049674e-11 2.791914e-10 3.698619e-10 ] [ 8.141582e-11 3.850123e-10 1.870554e-10 ] [ 3.012674e-11 5.244230000000001e-10 3.479153e-10 ] [ 2.657762e-10 5.04937e-10 3.20133e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.873804 -4.1052508 0.2379777 ] [ -5.6634124 -8.3866 6.4297643 ] [ -5.1063037 -1.1414861 -12.4445451 ] [ -1.9189296 7.7326701 2.0287729 ] [ 6.8148418 5.9006668 3.7480302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.410871443961524e-09 -6.577336854280498e-09 3.812823072117561e-10 ] [ -9.073786941228818e-09 -1.343681444800128e-08 1.030161803871448e-08 ] [ -8.181200406844537e-09 -1.828862342388171e-09 -1.99383592157112e-08 ] [ -3.074464142081096e-09 1.23891032505792e-08 3.250452509292617e-09 ] [ 1.091858020641059e-08 9.453910394090748e-09 6.005006360492349e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5106352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.226834262397533e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3143278 2.7691753 2.7773767 ] [ 0.2851639 2.7490524 4.3875026 ] [ 0.7592159 3.9420708 1.0696419 ] [ 0.2724917 5.1130899 3.3284536 ] [ 2.8358528 5.1322766 3.7016022 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3143278e-10 2.7691753e-10 2.7773767e-10 ] [ 2.851639e-11 2.7490524e-10 4.3875026e-10 ] [ 7.592159000000001e-11 3.9420708e-10 1.0696419e-10 ] [ 2.724917e-11 5.1130899e-10 3.3284536e-10 ] [ 2.8358528e-10 5.1322766e-10 3.7016022e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 2.3e-06 9e-07 ] [ -2.1e-06 -8e-07 3.1e-06 ] [ -2e-06 1e-06 -4.3e-06 ] [ 2.4e-06 -2.3e-06 -5e-07 ] [ 5e-07 -2e-07 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 3.68500622784e-15 1.44195895872e-15 ] [ -3.36457090368e-15 -1.28174129664e-15 4.96674752448e-15 ] [ -3.2043532416e-15 1.6021766208e-15 -6.889359469440001e-15 ] [ 3.84522388992e-15 -3.68500622784e-15 -8.010883104e-16 ] [ 8.010883104e-16 -3.2043532416e-16 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658081798169e-18 } }