{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6943023 -3.8275554 -10.1875671 ] [ -6.7544953 -3.7852248 7.6117924 ] [ -5.4149058 10.1894164 -2.8912062 ] [ 6.127244 -1.533479 -1.9013404 ] [ 5.1043948 -5.542078 2.2017806 ] [ 1.8229325 1.2457862 -1.6647695 ] [ 4.8091321 3.2531347 6.8313101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.123278016827669e-09 -6.132419776696792e-09 -1.632228183045126e-08 ] [ -1.082189445496348e-08 -6.064598679032357e-09 1.219543582566312e-08 ] [ -8.67563547659432e-09 1.63252447356761e-08 -4.632222979552009e-09 ] [ 9.816927086737076e-09 -2.456904202287763e-09 -3.04628313706252e-09 ] [ 8.178142011893091e-09 -8.879387802250023e-09 3.527641401450997e-09 ] [ 2.920659832796496e-09 1.995969524155273e-09 -2.667254771920906e-09 ] [ 7.705079016958808e-09 5.212096360653221e-09 1.094496533165491e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8457067 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.417238446919392e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4720631 2.228094 1.7507672 ] [ 1.6890635 2.6938233 4.7086337 ] [ 2.4301055 4.4441915 2.9293052 ] [ 4.9797429 2.4035438 1.6188867 ] [ 3.8948998 1.6491617 3.8074147 ] [ 4.4698925 4.7382939 1.660874 ] [ 3.8976017 3.9308557 5.0072665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4720631e-10 2.228094e-10 1.7507672e-10 ] [ 1.6890635e-10 2.6938233e-10 4.7086337e-10 ] [ 2.4301055e-10 4.4441915e-10 2.9293052e-10 ] [ 4.9797429e-10 2.4035438e-10 1.6188867e-10 ] [ 3.8948998e-10 1.6491617e-10 3.8074147e-10 ] [ 4.4698925e-10 4.738293900000001e-10 1.660874e-10 ] [ 3.8976017e-10 3.9308557e-10 5.007266500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.3e-06 8.5e-06 -5.6e-06 ] [ -4e-07 -2.6e-06 1.9e-06 ] [ -6.1e-06 9.5e-06 5e-06 ] [ 1.38e-05 -2.2e-06 9.6e-06 ] [ -6.9e-06 -2.2e-06 -8.9e-06 ] [ -1.5e-05 -1.44e-05 -4.9e-06 ] [ 8.4e-06 3.4e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.009371271104e-14 1.36185012768e-14 -8.972189076479999e-15 ] [ -6.408706483200001e-16 -4.16565921408e-15 3.04413557952e-15 ] [ -9.77327738688e-15 1.52206778976e-14 8.010883104e-15 ] [ 2.211003736704e-14 -3.52478856576e-15 1.538089555968e-14 ] [ -1.105501868352e-14 -3.52478856576e-15 -1.425937192512e-14 ] [ -2.4032649312e-14 -2.307134333952e-14 -7.850665441919999e-15 ] [ 1.345828361472e-14 5.44740051072e-15 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.403979 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.628207164189416e-18 } }