{ "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" [ [ 2.539099 2.604661 3.099024 ] [ 2.611969 4.601789 1.586924 ] [ 4.376067 2.909228 1.297188 ] [ 4.596034 1.971363 3.954157 ] [ 4.509814 4.398854 3.387028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.539099e-10 2.604661e-10 3.099024e-10 ] [ 2.611969e-10 4.601789e-10 1.586924e-10 ] [ 4.376067e-10 2.909228e-10 1.297188e-10 ] [ 4.596034e-10 1.971363e-10 3.954157e-10 ] [ 4.509814000000001e-10 4.398854e-10 3.387028e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9934568 -2.7672862 -0.1584314 ] [ -3.0401969 3.4000942 -1.4001277 ] [ 1.7914104 -1.7305311 -5.0077263 ] [ 1.9846854 -1.976357 4.2379604 ] [ 3.2575579 3.0740802 2.3283249 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.398223173848411e-09 -4.43368128923065e-09 -2.538350871719076e-10 ] [ -4.870932435939235e-09 5.447551480638922e-09 -2.243251885556162e-09 ] [ 2.870155884784593e-09 -2.772616492830317e-09 -8.023262067327273e-09 ] [ 3.179816573720943e-09 -3.166473005842338e-09 6.789961128697293e-09 ] [ 5.219183151282108e-09 4.925219467482046e-09 3.730387751140386e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5039736 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.042051453007286e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5734055 2.2413918 2.4477387 ] [ 2.3550453 4.820978 2.5398499 ] [ 4.6663058 2.6195698 0.9688285 ] [ 4.1584386 2.4509904 4.4859124 ] [ 4.8797878 4.3529651 2.8819915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5734055e-10 2.2413918e-10 2.4477387e-10 ] [ 2.3550453e-10 4.820978e-10 2.5398499e-10 ] [ 4.6663058e-10 2.6195698e-10 9.688285e-11 ] [ 4.1584386e-10 2.4509904e-10 4.4859124e-10 ] [ 4.8797878e-10 4.3529651e-10 2.8819915e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 6.3e-06 -1.3e-06 ] [ -2.9e-06 -4.9e-06 2e-07 ] [ -1e-07 2e-07 1.7e-06 ] [ 2e-07 -0.0 7e-07 ] [ 2.5e-06 -1.5e-06 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-16 1.00937127942e-14 -2.0828296242e-15 ] [ -4.6463122386e-15 -7.850665506599998e-15 3.204353268e-16 ] [ -1.602176634e-16 3.204353268e-16 2.7237002778e-15 ] [ 3.204353268e-16 0.0 1.1215236438e-15 ] [ 4.005441585e-15 -2.403264951e-15 -2.0828296242e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658097671503e-18 } }