{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8637392 -8.9766427 5.5056263 ] [ -6.215021 12.2164191 -1.6758844 ] [ -11.5308248 -3.7835829 -2.0204629 ] [ 0.2014233 -6.2199697 -13.3658902 ] [ 3.0549719 3.1064572 13.5190082 ] [ 4.1722282 -2.4053282 -0.01674 ] [ 8.4534831 6.0626472 -1.9456569 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.986039373508495e-09 -1.438216706721499e-08 8.820985740721607e-09 ] [ -9.957561343981037e-09 1.957286107191458e-08 -2.685062804843435e-09 ] [ -1.847441791310084e-08 -6.061968065238664e-09 -3.237138421573768e-09 ] [ 3.227157021443846e-10 -9.96549003542439e-09 -2.141451679461984e-08 ] [ 4.894604555380956e-09 4.97709309935583e-09 2.165983887444349e-08 ] [ 6.684646478682467e-09 -3.853760607390946e-09 -2.6820436632192e-11 ] [ 1.354397298714791e-08 9.713431603998582e-09 -3.117285997278203e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.0996247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.761792985994214e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.7257478 2.3213453 3.8750661 ] [ 1.9040807 5.4546104 2.9160098 ] [ 0.9866229 3.2738483 2.1815761 ] [ 2.5410729 2.5659659 0.4529509 ] [ 2.4845714 4.4367086 5.0466627 ] [ 4.3361989 2.8498226 2.0684127 ] [ 4.1363428 5.2413018 2.0612117 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7257478e-10 2.3213453e-10 3.8750661e-10 ] [ 1.9040807e-10 5.4546104e-10 2.9160098e-10 ] [ 9.866229e-11 3.2738483e-10 2.1815761e-10 ] [ 2.5410729e-10 2.5659659e-10 4.529509e-11 ] [ 2.4845714e-10 4.4367086e-10 5.0466627e-10 ] [ 4.3361989e-10 2.8498226e-10 2.0684127e-10 ] [ 4.1363428e-10 5.2413018e-10 2.0612117e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 4e-06 7.2e-06 ] [ 6.1e-06 -8.7e-06 1.06e-05 ] [ -2.8e-06 6.6e-06 -2e-07 ] [ 1.5e-06 -6.4e-06 -1.05e-05 ] [ -1e-06 -1.4e-06 -2.9e-06 ] [ 6.5e-06 1.1e-06 2.2e-06 ] [ -4.3e-06 4.8e-06 -6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-15 6.4087064832e-15 1.153567166976e-14 ] [ 9.77327738688e-15 -1.393893660096e-14 1.698307218048e-14 ] [ -4.48609453824e-15 1.057436569728e-14 -3.2043532416e-16 ] [ 2.4032649312e-15 -1.025393037312e-14 -1.68228545184e-14 ] [ -1.6021766208e-15 -2.24304726912e-15 -4.646312200320001e-15 ] [ 1.04141480352e-14 1.76239428288e-15 3.52478856576e-15 ] [ -6.889359469440001e-15 7.69044777984e-15 -1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }