{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.1060466 -6.9699382 -6.8606794 ] [ -0.173447 -2.1344744 13.0051329 ] [ -11.2671968 9.1472532 -3.6343314 ] [ -0.1892344 -3.8366657 -2.9161074 ] [ 9.4028457 -3.3304808 4.3770353 ] [ 3.6201794 0.5342596 -8.0069055 ] [ 5.7128997 6.5900463 4.0358554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.138514172883533e-08 -1.116707203246083e-08 -1.099202013748417e-08 ] [ -2.778927283478976e-10 -3.419804981376108e-09 2.083651988277691e-08 ] [ -1.805203929491258e-08 1.465551522157799e-08 -5.822840801319333e-09 ] [ -3.031869315311155e-10 -6.147016086365267e-09 -4.672119100021874e-09 ] [ 1.506501954952981e-08 -5.33601847378328e-09 7.012783626076314e-09 ] [ 5.800166797781771e-09 8.559782405579597e-10 -1.282847679705493e-08 ] [ 9.153074336315335e-09 1.055841811184954e-08 6.466153166809432e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.507543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.644799946145069e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4910885 2.2533551 1.8996933 ] [ 2.748671 2.6784681 4.1787564 ] [ 1.7299329 4.6273543 2.7226018 ] [ 3.6766009 1.0607839 2.3137074 ] [ 5.2661672 2.6977342 3.3924911 ] [ 3.7420692 3.5380205 1.4107221 ] [ 4.0630594 4.9019959 3.645203 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4910885e-10 2.2533551e-10 1.8996933e-10 ] [ 2.748671e-10 2.6784681e-10 4.1787564e-10 ] [ 1.7299329e-10 4.627354300000001e-10 2.7226018e-10 ] [ 3.6766009e-10 1.0607839e-10 2.3137074e-10 ] [ 5.266167200000001e-10 2.6977342e-10 3.3924911e-10 ] [ 3.7420692e-10 3.5380205e-10 1.4107221e-10 ] [ 4.0630594e-10 4.901995900000001e-10 3.645203e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 -2.9e-06 -7.5e-06 ] [ 4.1e-06 7.4e-06 2.3e-06 ] [ -3e-07 4.7e-06 1.9e-06 ] [ 6.3e-06 -6.6e-06 -2.6e-06 ] [ 1.1e-06 -4e-07 2.9e-06 ] [ -4e-06 -5e-07 2.1e-06 ] [ 1e-07 -1.7e-06 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.153567166976e-14 -4.646312200320001e-15 -1.2016324656e-14 ] [ 6.568924145279999e-15 1.185610699392e-14 3.68500622784e-15 ] [ -4.8065298624e-16 7.53023011776e-15 3.04413557952e-15 ] [ 1.009371271104e-14 -1.057436569728e-14 -4.16565921408e-15 ] [ 1.76239428288e-15 -6.408706483200001e-16 4.646312200320001e-15 ] [ -6.4087064832e-15 -8.010883104e-16 3.36457090368e-15 ] [ 1.6021766208e-16 -2.72370025536e-15 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.454184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917992188554143e-18 } }