{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7177093 -3.234091 0.5712845 ] [ 3.2346602 -13.4483908 -2.0031744 ] [ -0.0656425 -1.1566064 1.9419941 ] [ 0.0996469 0.6930267 -0.9778543 ] [ 6.8479488 4.5667535 1.0665865 ] [ -4.0760595 3.90056 -11.0123282 ] [ -0.3228447 8.678748 10.4134918 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.160780164990735e-09 -5.181584989739693e-09 9.152986697254176e-10 ] [ 5.182496948672252e-09 -2.154669732714181e-08 -3.209439191065067e-09 ] [ -1.05170878830864e-10 -1.853087733547653e-09 3.111417544751537e-09 ] [ 1.596519335151955e-10 1.110351176330175e-09 -1.566695298008749e-09 ] [ 1.097162346779541e-08 7.316745690656573e-09 1.7088599543609e-09 ] [ -6.530567235889738e-09 6.249386040027648e-09 -1.764369478261655e-08 ] [ -5.172542304891897e-10 1.390488714341476e-08 1.668425310285251e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.104827 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.77918941974286e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8876522 2.7343272 2.8263954 ] [ 4.9283426 1.2758012 1.7014996 ] [ 5.1439985 2.3110713 4.1884961 ] [ 3.2059905 0.8368884 3.5018825 ] [ 5.871925 3.7082664 2.0754353 ] [ 3.509174 3.3183327 0.9743352 ] [ 3.7248532 4.3536152 3.4613239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8876522e-10 2.7343272e-10 2.8263954e-10 ] [ 4.9283426e-10 1.2758012e-10 1.7014996e-10 ] [ 5.143998500000001e-10 2.3110713e-10 4.1884961e-10 ] [ 3.2059905e-10 8.368884e-11 3.5018825e-10 ] [ 5.871925e-10 3.7082664e-10 2.0754353e-10 ] [ 3.509174e-10 3.3183327e-10 9.743352e-11 ] [ 3.7248532e-10 4.3536152e-10 3.4613239e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.81e-05 2e-07 -1.6e-05 ] [ -1.7e-05 1.17e-05 2.22e-05 ] [ -2.9e-06 -2.09e-05 -1.84e-05 ] [ 8.5e-06 -3.8e-06 2.62e-05 ] [ -3.1e-06 8.7e-06 1.5e-06 ] [ 1.3e-06 2.38e-05 8.7e-06 ] [ -4.9e-06 -1.97e-05 -2.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.899939683648e-14 3.2043532416e-16 -2.56348259328e-14 ] [ -2.72370025536e-14 1.874546646336e-14 3.556832098176e-14 ] [ -4.646312200320001e-15 -3.348549137472e-14 -2.948004982272e-14 ] [ 1.36185012768e-14 -6.08827115904e-15 4.197702746496e-14 ] [ -4.96674752448e-15 1.393893660096e-14 2.4032649312e-15 ] [ 2.08282960704e-15 3.813180357504e-14 1.393893660096e-14 ] [ -7.850665441919999e-15 -3.156287942976e-14 -3.893289188544e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.023701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727497574168958e-18 } }