{ "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" [ [ 0.0140975 0.5833675 2.011711 ] [ 0.3860738 2.863563 1.325373 ] [ 1.128451 1.622429 0.5509609 ] [ 2.086312 0.6042059 2.517228 ] [ 2.318087 2.883056 0.8671461 ] [ 2.902063 1.818717 2.74846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.40975e-12 5.833675e-11 2.011711e-10 ] [ 3.860738e-11 2.863563e-10 1.325373e-10 ] [ 1.128451e-10 1.622429e-10 5.509609e-11 ] [ 2.086312e-10 6.042059e-11 2.517228e-10 ] [ 2.318087e-10 2.883056e-10 8.671461e-11 ] [ 2.902063e-10 1.818717e-10 2.74846e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.0518365 -18.0547273 9.4552439 ] [ -45.1317972 47.4727019 3.3055944 ] [ -11.303555 -29.1288168 -53.2342726 ] [ -2.9738318 -70.0225635 21.6974176 ] [ 30.9244392 34.5623477 -14.043836 ] [ 52.5365814 35.171058 32.8198527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.85352901276041e-08 -2.892686197497951e-08 1.514897072054181e-08 ] [ -7.230911032852691e-08 7.605965311038774e-08 5.296146065527404e-09 ] [ -1.811029155292694e-08 -4.666950926852627e-08 -8.529070698501402e-08 ] [ -4.764603784151582e-09 -1.121885141681834e-07 3.476309521045445e-08 ] [ 4.954641349759105e-08 5.537498544490064e-08 -2.250070570554939e-08 ] [ 8.417288245583613e-08 5.635024685640081e-08 5.258320069403976e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 52.305281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.380229836257446e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0049771 0.7178668 1.7213216 ] [ 0.0043423 3.2026862 1.9814701 ] [ 1.377133 1.0935993 -0.332458 ] [ 1.8226115 0.2727191 3.2053759 ] [ 2.2317325 3.1201361 0.8527887 ] [ 3.3942879 1.9683309 2.5923807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.9771e-13 7.178668e-11 1.7213216e-10 ] [ 4.342300000000001e-13 3.2026862e-10 1.9814701e-10 ] [ 1.377133e-10 1.0935993e-10 -3.32458e-11 ] [ 1.8226115e-10 2.727191e-11 3.2053759e-10 ] [ 2.2317325e-10 3.1201361e-10 8.527887e-11 ] [ 3.3942879e-10 1.9683309e-10 2.5923807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -1.12e-05 -1.03e-05 ] [ -2.88e-05 1.44e-05 1.13e-05 ] [ 1.02e-05 -5.2e-06 -4.05e-05 ] [ 1.37e-05 3.3e-05 3.81e-05 ] [ -5e-06 1.56e-05 9.9e-06 ] [ 1.22e-05 -4.67e-05 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 -1.794437815296e-14 -1.650241919424e-14 ] [ -4.614268667904e-14 2.307134333952e-14 1.810459581504e-14 ] [ 1.634220153216e-14 -8.33131842816e-15 -6.488815314240001e-14 ] [ 2.194981970496e-14 5.28718284864e-14 6.104292925248e-14 ] [ -8.010883104e-15 2.499395528448e-14 1.586154854592e-14 ] [ 1.954655477376e-14 -7.482164819136e-14 -1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.132746 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104097860810472e-18 } }