{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1627712 -3.7307407 -0.0199186 ] [ -0.2859724 3.0066031 0.0872811 ] [ -0.4597427 -0.2358224 0.0576854 ] [ -0.6251838 -0.8902619 -2.4802373 ] [ 0.3411331 -1.2682952 3.8230317 ] [ -0.1330055 3.1185171 -1.4678423 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.862964831979561e-09 -5.977305527807026e-09 -3.191311523906689e-11 ] [ -4.581782934740659e-10 4.817109194844804e-09 1.398397378577069e-10 ] [ -7.365890055234682e-10 -3.778291359409459e-10 9.242219924149631e-11 ] [ -1.001654868062903e-09 -1.426356802568988e-09 -3.973778216096117e-09 ] [ 5.465554774010286e-10 -2.03203291771286e-09 6.12517201031728e-09 ] [ -2.130983025378144e-10 4.996415189185016e-09 -2.3517426160813e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.129503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.584231261172346e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4426503 0.3188946 0.1487834 ] [ 0.3198019 2.6767241 0.4495389 ] [ 0.0376714 1.2230447 2.3129025 ] [ 2.7271769 0.3870279 0.5478274 ] [ 2.3221984 1.2911718 2.7119486 ] [ 2.6043238 2.7448547 0.8485879 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.426503e-11 3.188946e-11 1.487834e-11 ] [ 3.198019e-11 2.6767241e-10 4.495389e-11 ] [ 3.76714e-12 1.2230447e-10 2.3129025e-10 ] [ 2.7271769e-10 3.870279e-11 5.478274e-11 ] [ 2.3221984e-10 1.2911718e-10 2.7119486e-10 ] [ 2.6043238e-10 2.7448547e-10 8.485879e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.5e-06 8.9e-06 7.2e-06 ] [ -2.36e-05 -5e-06 1.4e-06 ] [ 1.59e-05 -3.6e-06 -7.8e-06 ] [ -9.9e-06 -5.9e-06 4e-06 ] [ -1.4e-05 7e-07 -6e-06 ] [ 2.31e-05 4.8e-06 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.36185012768e-14 1.425937192512e-14 1.153567166976e-14 ] [ -3.781136825088e-14 -8.010883104e-15 2.24304726912e-15 ] [ 2.547460827072e-14 -5.76783583488e-15 -1.249697764224e-14 ] [ -1.586154854592e-14 -9.45284206272e-15 6.4087064832e-15 ] [ -2.24304726912e-14 1.12152363456e-15 -9.6130597248e-15 ] [ 3.701027994048e-14 7.69044777984e-15 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }