{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2817314 1.1983293 1.7688539 ] [ 1.9939741 0.7767849 0.5923403 ] [ -4.7358761 -1.1713268 -0.7300312 ] [ 0.5356276 0.8422966 -0.2474916 ] [ 0.2838581 -0.6770331 -3.2470129 ] [ 3.9538798 -3.6645797 2.5444905 ] [ -0.7497323 2.6955288 -0.681149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.053560083225253e-09 1.919935188479629e-09 2.834016364190901e-09 ] [ 3.194698685500721e-09 1.244546606170466e-09 9.490337802176584e-10 ] [ -7.587709966425482e-09 -1.876672414276477e-09 -1.169638921094569e-09 ] [ 8.581700181752141e-10 1.349507920299329e-09 -3.965252553643853e-10 ] [ 4.547908114447085e-10 -1.084726604327749e-09 -5.202288155816009e-09 ] [ 6.33481377701338e-09 -5.871303920398277e-09 4.076723190947703e-09 ] [ -1.201203562918612e-09 4.318713224053079e-09 -1.091321003081299e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.049939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.052136689346613e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0519224 1.5244279 2.4004919 ] [ 1.1519678 1.5338179 4.6209289 ] [ 2.4979793 3.4052073 5.3135916 ] [ 1.0968007 3.5890185 3.2401788 ] [ 4.1984589 2.4789042 2.4027782 ] [ 4.7903424 3.1516402 4.6248149 ] [ 3.3037615 4.570361 3.2425367 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0519224e-10 1.5244279e-10 2.4004919e-10 ] [ 1.1519678e-10 1.5338179e-10 4.6209289e-10 ] [ 2.4979793e-10 3.4052073e-10 5.3135916e-10 ] [ 1.0968007e-10 3.5890185e-10 3.2401788e-10 ] [ 4.1984589e-10 2.4789042e-10 2.4027782e-10 ] [ 4.7903424e-10 3.1516402e-10 4.6248149e-10 ] [ 3.3037615e-10 4.570361e-10 3.2425367e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.12e-05 -1e-05 -2.08e-05 ] [ -1.47e-05 -2.97e-05 5.8e-06 ] [ 1.89e-05 6.7e-06 8e-07 ] [ -2.08e-05 1.99e-05 -1.31e-05 ] [ -2.74e-05 -8.9e-06 2.76e-05 ] [ 1.74e-05 1.51e-05 -6.7e-06 ] [ 1.55e-05 6.9e-06 6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.794437815296e-14 -1.6021766208e-14 -3.332527371264e-14 ] [ -2.355199632576e-14 -4.758464563776e-14 9.292624400640001e-15 ] [ 3.028113813312e-14 1.073458335936e-14 1.28174129664e-15 ] [ -3.332527371264e-14 3.188331475392e-14 -2.098851373248e-14 ] [ -4.389963940992e-14 -1.425937192512e-14 4.422007473408001e-14 ] [ 2.787787320192e-14 2.419286697408e-14 -1.073458335936e-14 ] [ 2.48337376224e-14 1.105501868352e-14 1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.813838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.494962125351863e-18 } }