{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6055169 -1.0759917 -2.3127712 ] [ -1.1090223 1.5575624 -0.6807814 ] [ 0.5396683 -0.9702396 2.9485016 ] [ -2.1843447 1.7576024 -3.8489466 ] [ -0.241993 1.2560315 -0.5426092 ] [ 0.9989006 -0.12202 0.6974445 ] [ 1.3912743 -2.402945 3.7391623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.701450286721145e-10 -1.723928760117938e-09 -3.70546797642814e-09 ] [ -1.776849615644938e-09 2.495490083276962e-09 -1.090732051941808e-09 ] [ 8.646439403705022e-10 -1.554495216501506e-09 4.724020368831614e-09 ] [ -3.49970603894174e-09 2.815989497142321e-09 -6.166692308033744e-09 ] [ -3.87715530191562e-10 2.012384320867971e-09 -8.693557816334327e-10 ] [ 1.60041520100858e-09 -1.9549759288068e-10 1.117429281411813e-09 ] [ 2.229067174944706e-09 -3.849942331787129e-09 5.990798467793697e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.218437 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.079133070340106e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8673846 1.6521158 0.8061904 ] [ 0.9778086 2.6573858 1.8516254 ] [ 1.6681481 1.6383799 3.891004 ] [ 2.37144 4.5092128 2.4016574 ] [ 3.8038193 1.1212448 2.9434127 ] [ 4.3236634 3.2432421 1.842548 ] [ 3.4372358 3.2330878 4.122716 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8673846e-10 1.6521158e-10 8.061904e-11 ] [ 9.778086e-11 2.6573858e-10 1.8516254e-10 ] [ 1.6681481e-10 1.6383799e-10 3.891004e-10 ] [ 2.371440000000001e-10 4.5092128e-10 2.4016574e-10 ] [ 3.8038193e-10 1.1212448e-10 2.9434127e-10 ] [ 4.3236634e-10 3.2432421e-10 1.842548e-10 ] [ 3.4372358e-10 3.2330878e-10 4.122716e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.4e-06 -9.2e-06 -4.31e-05 ] [ -6.6e-06 2.2e-06 6.2e-06 ] [ -3.93e-05 -1.76e-05 3.08e-05 ] [ -1.1e-05 3.04e-05 -8.6e-06 ] [ 2.25e-05 -3.01e-05 7.3e-06 ] [ 1.97e-05 1.04e-05 -1.47e-05 ] [ 9.3e-06 1.39e-05 2.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.6517538236e-15 -1.47400250328e-14 -6.90538129254e-14 ] [ -1.05743657844e-14 3.5247885948e-15 9.9334951308e-15 ] [ -6.29655417162e-14 -2.81983087584e-14 4.93470403272e-14 ] [ -1.7623942974e-14 4.870616967359999e-14 -1.37787190524e-14 ] [ 3.6048974265e-14 -4.82255166834e-14 1.16958894282e-14 ] [ 3.15628796898e-14 1.66626369936e-14 -2.35519965198e-14 ] [ 1.49002426962e-14 2.22702552126e-14 3.5247885948e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }