{ "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" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4015691 -0.1637236 -14.4134253 ] [ -2.1589861 -2.6250737 13.6686989 ] [ -6.657021 3.2528492 -3.3399041 ] [ 6.9141645 -1.4852703 -17.6673298 ] [ 0.5002734 1.0212184 21.7519603 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.245561244455697e-09 -2.623141241932109e-10 -2.309285304130723e-08 ] [ -3.459077054052171e-09 -4.205831710016954e-09 2.189966981433468e-08 ] [ -1.066572341037464e-08 5.211638939227983e-09 -5.351116264734065e-09 ] [ 1.107771271426532e-08 -2.379665350228602e-09 -2.830618275752314e-08 ] [ 8.015263454881267e-10 1.636172245210783e-09 3.485048224922976e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5881903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.351091230441339e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0789136 0.2821863 0.0888267 ] [ 0.81351 0.7215557 2.4334144 ] [ 0.5468458 2.4902493 0.8432957 ] [ 2.7176284 2.0300495 -0.0532142 ] [ 2.4522313 2.4694077 2.2913786 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0789136e-10 2.821863e-11 8.88267e-12 ] [ 8.1351e-11 7.215557e-11 2.4334144e-10 ] [ 5.468458000000001e-11 2.4902493e-10 8.432957e-11 ] [ 2.7176284e-10 2.0300495e-10 -5.321420000000001e-12 ] [ 2.4522313e-10 2.4694077e-10 2.2913786e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.31e-05 -1.44e-05 -2.42e-05 ] [ -3.29e-05 -2.01e-05 3.41e-05 ] [ -1.21e-05 -5e-06 1.93e-05 ] [ 4.77e-05 1.04e-05 -4.04e-05 ] [ 1.04e-05 2.91e-05 1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.098851373248e-14 -2.307134333952e-14 -3.877267422336e-14 ] [ -5.271161082432e-14 -3.220375007808e-14 5.463422276928e-14 ] [ -1.938633711168e-14 -8.010883104e-15 3.092200878144e-14 ] [ 7.642382481215999e-14 1.666263685632e-14 -6.472793548032e-14 ] [ 1.666263685632e-14 4.662333966527999e-14 1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }