{ "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" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0143434 -1.5557625 -3.1490189 ] [ 6.0365295 -40.8055011 16.9349146 ] [ -14.2468374 42.6095736 -11.1639087 ] [ -23.3144138 -56.1207866 -60.5726845 ] [ 34.9947558 40.5273868 61.3198652 ] [ -1.4556908 15.3450897 -3.3691676 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.227333928332115e-09 -2.492606325553425e-09 -5.045284501604383e-09 ] [ 9.671586515351702e-09 -6.53776204010813e-08 2.713272447090545e-08 ] [ -2.282594999067731e-08 6.826806320662325e-08 -1.788655366324932e-08 ] [ -3.735380902576715e-08 -8.991541297222031e-08 -9.704813976455397e-08 ] [ 5.606778005529597e-08 6.493203216804003e-08 9.824525522346973e-08 ] [ -2.332273786088767e-09 2.458554416397407e-08 -5.398001604749857e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 28.535184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.571840505169065e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1846676 0.9046863 0.5254902 ] [ 0.611853 0.2270895 3.0379089 ] [ 0.0618517 2.6212771 2.3498423 ] [ 2.3582978 -0.2434624 1.13635 ] [ 2.9795871 1.1962472 3.1030447 ] [ 2.3764442 3.1274374 1.6979627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.846676e-11 9.046863000000001e-11 5.254902000000001e-11 ] [ 6.11853e-11 2.270895e-11 3.0379089e-10 ] [ 6.18517e-12 2.6212771e-10 2.3498423e-10 ] [ 2.3582978e-10 -2.434624e-11 1.13635e-10 ] [ 2.9795871e-10 1.1962472e-10 3.1030447e-10 ] [ 2.3764442e-10 3.1274374e-10 1.6979627e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.81e-05 -3.41e-05 -3.1e-05 ] [ 3.67e-05 8.4e-06 1.97e-05 ] [ -1.32e-05 1.47e-05 1.68e-05 ] [ -2.87e-05 -2.19e-05 -1.18e-05 ] [ -2.82e-05 -2.47e-05 2.4e-06 ] [ 1.53e-05 5.75e-05 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.899939707539999e-14 -5.46342232194e-14 -4.966747565399999e-14 ] [ 5.879988246779999e-14 1.34582837256e-14 3.15628796898e-14 ] [ -2.11487315688e-14 2.35519965198e-14 2.691656745119999e-14 ] [ -4.598246939579999e-14 -3.50876682846e-14 -1.89056842812e-14 ] [ -4.51813810788e-14 -3.95737628598e-14 3.845223921599999e-15 ] [ 2.45133025002e-14 9.212515645499998e-14 6.088271209199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.642267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.506167469018928e-18 } }