{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4593326 -5.4700469 -9.9859902 ] [ -5.5849161 -3.9362188 -0.9875192 ] [ 7.1626458 -0.0109755 6.3651149 ] [ -7.1838189 6.6800102 0.7718827 ] [ 4.5513476 0.740552 -2.4433354 ] [ -0.3908273 -3.8530694 4.3788896 ] [ 4.9049014 5.8497483 1.9009577 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.542461815291278e-09 -8.763981257859516e-09 -1.599932003397792e-08 ] [ -8.948022004549515e-09 -6.30651773571343e-09 -1.58218017483112e-09 ] [ 1.147582364383131e-08 -1.75846895015904e-11 1.019803828148573e-08 ] [ -1.150974668964117e-08 1.070255616914553e-08 1.23669241593998e-09 ] [ 7.29206271785419e-09 1.186495100886681e-09 -3.914654854653016e-09 ] [ -6.261743628303878e-10 -6.173297710999884e-09 7.015754542184263e-09 ] [ 7.858518350409189e-09 9.372329963824545e-09 3.04566998406974e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.997886 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.922273244822363e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4812805 2.7594843 0.8796032 ] [ 1.3065793 2.0319249 2.8837723 ] [ 3.5886179 3.6308341 4.9585058 ] [ 1.4152433 4.2525749 3.875168 ] [ 4.6546584 2.1377478 1.9629369 ] [ 3.4312051 1.4241329 3.9428046 ] [ 3.5962283 4.4314902 2.5025693 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4812805e-10 2.7594843e-10 8.796032e-11 ] [ 1.3065793e-10 2.0319249e-10 2.8837723e-10 ] [ 3.5886179e-10 3.6308341e-10 4.9585058e-10 ] [ 1.4152433e-10 4.2525749e-10 3.875168e-10 ] [ 4.6546584e-10 2.1377478e-10 1.9629369e-10 ] [ 3.4312051e-10 1.4241329e-10 3.9428046e-10 ] [ 3.5962283e-10 4.4314902e-10 2.5025693e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 4e-07 -1.5e-06 ] [ 2e-06 -5e-07 -3.3e-06 ] [ 2.1e-06 3.1e-06 -0.0 ] [ 1.4e-06 -1.7e-06 1.5e-06 ] [ -2e-06 -1.4e-06 1.4e-06 ] [ -1.6e-06 -9e-07 1.1e-06 ] [ -1.6e-06 1.1e-06 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 6.408706483200001e-16 -2.4032649312e-15 ] [ 3.2043532416e-15 -8.010883104e-16 -5.28718284864e-15 ] [ 3.36457090368e-15 4.96674752448e-15 0.0 ] [ 2.24304726912e-15 -2.72370025536e-15 2.4032649312e-15 ] [ -3.2043532416e-15 -2.24304726912e-15 2.24304726912e-15 ] [ -2.56348259328e-15 -1.44195895872e-15 1.76239428288e-15 ] [ -2.56348259328e-15 1.76239428288e-15 1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.72791 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.840324293764653e-18 } }