{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.243378 -2.879659 2.7495156 ] [ -6.2749037 3.9364493 -19.0966149 ] [ -8.1314903 0.2103831 22.1684359 ] [ 7.8699284 -5.6912103 -3.0597316 ] [ 8.7798436 4.4240369 -2.761605 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.594287783217062e-09 -4.613722325676307e-09 4.405209612844885e-09 ] [ -1.005350400591142e-08 6.306887037424526e-09 -3.059614992920093e-08 ] [ -1.302808365092198e-08 3.370708842314285e-10 3.55177497186834e-08 ] [ 1.260901528984995e-08 -9.118324086716154e-09 -4.902230435442977e-09 ] [ 1.406686015020051e-08 7.088088490736507e-09 -4.424578966884384e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4295646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.096944842443304e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0139994 0.5649757 1.8224273 ] [ 1.4483141 1.4825082 0.236772 ] [ 0.8838388 2.030411 3.3993032 ] [ 3.0254932 -0.0415999 -0.5160865 ] [ 2.3169492 2.9491132 1.8204301 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.39994e-12 5.649757e-11 1.8224273e-10 ] [ 1.4483141e-10 1.4825082e-10 2.36772e-11 ] [ 8.838388000000001e-11 2.030411e-10 3.3993032e-10 ] [ 3.0254932e-10 -4.159990000000001e-12 -5.160865e-11 ] [ 2.3169492e-10 2.949113200000001e-10 1.8204301e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 7.5e-06 0.0 ] [ 5e-07 -8e-07 4.5e-06 ] [ -1e-07 2.1e-06 8.9e-06 ] [ 9.8e-06 -4.4e-06 -1e-05 ] [ -7.1e-06 -4.3e-06 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.96674752448e-15 1.2016324656e-14 0.0 ] [ 8.010883104e-16 -1.28174129664e-15 7.2097947936e-15 ] [ -1.6021766208e-16 3.36457090368e-15 1.425937192512e-14 ] [ 1.570133088384e-14 -7.04957713152e-15 -1.6021766208e-14 ] [ -1.137545400768e-14 -6.889359469440001e-15 -5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.716941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.037478555829297e-18 } }