{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 98.7759181 123.191572 -290.7523348 ] [ -108.9252306 -131.9213711 292.441924 ] [ -35.5562879 12.2851792 -282.2323672 ] [ 332.1510257 -77.0381851 198.9043245 ] [ -286.4454252 73.482805 81.6384535 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.582564679817177e-07 1.973746581641286e-07 -4.658365970975051e-07 ] [ -1.745174593203818e-07 -2.113613383016628e-07 4.685436174348037e-07 ] [ -5.696745366515693e-08 1.968302705874281e-08 -4.521861040863479e-07 ] [ 5.321646123356735e-07 -1.234287800929869e-07 3.186798611154537e-07 ] [ -4.589361671716347e-07 1.177324331717784e-07 1.307992226335955e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 228.26841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.657263127823319e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.5233113 1.4495862 0.7704873 ] [ 0.453619 0.112003 3.002573 ] [ 2.9371126 1.7561509 0.1608681 ] [ 3.4134841 2.8948771 2.3394054 ] [ 1.0256219 2.6506413 3.0677753 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.233113000000001e-11 1.4495862e-10 7.704873e-11 ] [ 4.53619e-11 1.12003e-11 3.002573e-10 ] [ 2.9371126e-10 1.7561509e-10 1.608681e-11 ] [ 3.4134841e-10 2.8948771e-10 2.3394054e-10 ] [ 1.0256219e-10 2.6506413e-10 3.0677753e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.49e-05 2.26e-05 -9.2e-06 ] [ 1.85e-05 -2.99e-05 -2.72e-05 ] [ -2.09e-05 -2.17e-05 8.66e-05 ] [ -3.86e-05 1.67e-05 -7.5e-06 ] [ 7.59e-05 1.23e-05 -4.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.59159645266e-14 3.62091919284e-14 -1.47400250328e-14 ] [ 2.9640267729e-14 -4.790508135659999e-14 -4.35792044448e-14 ] [ -3.34854916506e-14 -3.476723295779999e-14 1.387484965044e-13 ] [ -6.18440180724e-14 2.67563497878e-14 -1.2016324755e-14 ] [ 1.216052065206e-13 1.97067725982e-14 -6.84129422718e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.615343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.501853768649546e-18 } }