{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3944818 -0.7058682 -1.8372288 ] [ -1.2630063 0.7713194 -0.6104436 ] [ -0.4871456 0.7302377 1.3361804 ] [ -0.5861574 0.2126688 0.806405 ] [ 1.9938657 -1.0024896 0.9578871 ] [ 0.9200534 0.5676934 0.3962259 ] [ -0.1831279 -0.5735615 -1.049026 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.320295172911013e-10 -1.130925527406178e-09 -2.943565030420439e-09 ] [ -2.023559165783111e-09 1.235789909849483e-09 -9.780384642369868e-10 ] [ -7.804932912455885e-10 1.169969770566764e-09 2.140796998051192e-09 ] [ -9.39127682388914e-10 3.40732979333591e-10 1.292003237896224e-09 ] [ 3.194525009555026e-09 -1.606165399715144e-09 1.534704316985912e-09 ] [ 1.474088047367551e-09 9.095450932624628e-10 6.348238735354388e-10 ] [ -2.934032399962003e-10 -9.189468258909791e-10 -1.680724931811341e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.930864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.353494095394437e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6565439 2.960638 1.3913568 ] [ 1.3209763 1.7004567 2.9835512 ] [ 1.7468456 3.9658975 3.4085553 ] [ 4.2768626 1.305731 2.1280156 ] [ 3.2184436 1.1101541 4.1865279 ] [ 4.7021244 3.5712546 2.5531947 ] [ 3.6468285 3.390258 4.6146214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6565439e-10 2.960638e-10 1.3913568e-10 ] [ 1.3209763e-10 1.7004567e-10 2.9835512e-10 ] [ 1.7468456e-10 3.9658975e-10 3.4085553e-10 ] [ 4.2768626e-10 1.305731e-10 2.1280156e-10 ] [ 3.2184436e-10 1.1101541e-10 4.1865279e-10 ] [ 4.7021244e-10 3.5712546e-10 2.5531947e-10 ] [ 3.6468285e-10 3.390258e-10 4.6146214e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.65e-05 2.11e-05 -2.8e-06 ] [ 5.19e-05 -1.14e-05 -1.17e-05 ] [ -1.36e-05 3.6e-06 -2.75e-05 ] [ -1.38e-05 -2.81e-05 -1.1e-06 ] [ -2.11e-05 -7.8e-06 1.3e-05 ] [ 3.31e-05 2.18e-05 -1.84e-05 ] [ 9.9e-06 8e-07 4.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.45012128672e-14 3.380592669888e-14 -4.48609453824e-15 ] [ 8.315296661952001e-14 -1.826481347712e-14 -1.874546646336e-14 ] [ -2.178960204288e-14 5.76783583488e-15 -4.4059857072e-14 ] [ -2.211003736704e-14 -4.502116304448e-14 -1.76239428288e-15 ] [ -3.380592669888e-14 -1.249697764224e-14 2.08282960704e-14 ] [ 5.303204614848e-14 3.492745033344e-14 -2.948004982272e-14 ] [ 1.586154854592e-14 1.28174129664e-15 7.77055661088e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }