{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.8599774 -2.3730012 -1.2908085 ] [ 4.5037888 -16.8140748 -9.5655001 ] [ 10.2699028 -3.6296493 12.3998605 ] [ -5.2117398 -10.8816893 8.6343734 ] [ 17.1122561 10.3146244 -3.2506735 ] [ -4.7275781 8.2165545 -19.2481676 ] [ -4.0866523 15.1672357 12.3209159 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.861483823829637e-08 -3.801967043770345e-09 -2.068103200629917e-09 ] [ 7.215865120380886e-09 -2.693911754494244e-08 -1.532562062648006e-08 ] [ 1.645419816404846e-08 -5.815339250163085e-09 1.98667665942814e-08 ] [ -8.350127661252868e-09 -1.743438819126952e-08 1.383379119673741e-08 ] [ 2.741685665256219e-08 1.652585006601323e-08 -5.208153083554109e-09 ] [ -7.574415104826085e-09 1.316437152342904e-08 -3.083896412196004e-08 ] [ -6.547538772398548e-09 2.430059044070312e-08 1.974028340182299e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 84.532483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.354359679607735e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.6342553 2.4203654 2.0216903 ] [ 5.1837955 -0.1077736 0.6514089 ] [ 7.2164484 1.7335043 5.9023809 ] [ 2.322326 -0.7301727 5.4250322 ] [ 7.8652747 4.9412231 1.482023 ] [ 3.1237956 4.6867417 -1.2935157 ] [ 3.1945511 5.5944141 4.5403483 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.342553e-11 2.4203654e-10 2.0216903e-10 ] [ 5.1837955e-10 -1.077736e-11 6.514089e-11 ] [ 7.216448400000001e-10 1.7335043e-10 5.9023809e-10 ] [ 2.322326e-10 -7.301727e-11 5.4250322e-10 ] [ 7.8652747e-10 4.9412231e-10 1.482023e-10 ] [ 3.1237956e-10 4.6867417e-10 -1.2935157e-10 ] [ 3.1945511e-10 5.5944141e-10 4.5403483e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -4.4408921e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.115093498115416e-34 } }