{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0540976 -9.3401637 -9.6154637 ] [ -9.9132339 -7.0374335 3.4632088 ] [ 0.7756359 3.2388788 5.6324816 ] [ -4.6908519 13.6422895 -3.7133174 ] [ 1.5770573 -4.8126821 -0.5459749 ] [ 8.5327191 4.8418671 -4.6692623 ] [ 7.772771 -0.5327561 9.4483278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.495380393161391e-09 -1.496459191458482e-08 -1.540567113829107e-08 ] [ -1.588275159110201e-08 -1.127521142413472e-08 5.548672172308823e-09 ] [ 1.242705705233167e-09 5.18925589096476e-09 9.024230336606177e-09 ] [ -7.51557324581526e-09 2.185735729108532e-08 -5.949390323889843e-09 ] [ 2.526724335721972e-09 -7.710766743962648e-09 -8.74748220323618e-10 ] [ 1.367092305387362e-08 7.757526268640696e-09 -7.480982893442836e-09 ] [ 1.245335197503224e-08 -8.535693680085868e-10 1.51378899068147e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4587615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.515460653702314e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8981047 0.8796085 2.1562502 ] [ 0.8612489 0.8116135 4.3156561 ] [ 2.201712 2.699015 4.9350235 ] [ 2.4042527 3.2388855 2.557813 ] [ 4.172745 0.3564597 2.7007984 ] [ 4.7814065 2.8855245 2.5294246 ] [ 4.4080151 1.7663359 4.8540903 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8981047e-10 8.796085e-11 2.1562502e-10 ] [ 8.612489e-11 8.116135e-11 4.3156561e-10 ] [ 2.201712e-10 2.699015e-10 4.9350235e-10 ] [ 2.4042527e-10 3.2388855e-10 2.557813e-10 ] [ 4.172745e-10 3.564597e-11 2.7007984e-10 ] [ 4.781406500000001e-10 2.8855245e-10 2.5294246e-10 ] [ 4.4080151e-10 1.7663359e-10 4.8540903e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 -1.1e-06 -1.64e-05 ] [ 1.3e-05 2.09e-05 7.8e-06 ] [ 7e-06 -1.02e-05 1.55e-05 ] [ 5.8e-06 -1.5e-06 -2.55e-05 ] [ 3.1e-06 -1.72e-05 8e-07 ] [ -2.86e-05 1.57e-05 1.07e-05 ] [ -2.6e-06 -6.5e-06 7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-15 -1.76239428288e-15 -2.627569658112e-14 ] [ 2.08282960704e-14 3.348549137472e-14 1.249697764224e-14 ] [ 1.12152363456e-14 -1.634220153216e-14 2.48337376224e-14 ] [ 9.292624400640001e-15 -2.4032649312e-15 -4.08555038304e-14 ] [ 4.96674752448e-15 -2.755743787776e-14 1.28174129664e-15 ] [ -4.582225135488e-14 2.515417294656e-14 1.714328984256e-14 ] [ -4.16565921408e-15 -1.04141480352e-14 1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }