{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1374009 -9.4167923 -6.8040255 ] [ -3.9427816 -11.0307607 16.4048876 ] [ -4.5445508 12.695573 -8.3089686 ] [ 2.8661717 -0.0006946 -1.1702878 ] [ 2.8360793 -0.9040527 0.155358 ] [ 0.1489678 0.084066 0.3999438 ] [ 3.7735144 8.5726613 -0.6769076 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.822317130456879e-09 -1.508736446598946e-08 -1.090125058342703e-08 ] [ -6.317032500440417e-09 -1.767322690317944e-08 2.628352737957182e-08 ] [ -7.281173043797936e-09 2.034055024825972e-08 -1.331243523388131e-08 ] [ 4.592113288938591e-09 -1.11287188080768e-12 -1.875007752767466e-09 ] [ 4.54389994919483e-09 -1.448452099911116e-09 2.489109554542464e-10 ] [ 2.386727264120102e-10 1.346885798041728e-10 6.40780605993911e-10 ] [ 6.04583654993214e-09 1.373491751289694e-08 -1.084525531161838e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.422909 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830151774132591e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.719174 2.3026027 1.3602327 ] [ 2.4843936 2.1908231 5.0530205 ] [ 1.8398658 3.7631134 3.17947 ] [ 5.0858568 2.6010093 2.0852771 ] [ 4.7694832 3.1103674 4.476657 ] [ 5.1888113 5.0572569 1.4903428 ] [ 3.8001712 5.1978491 3.6001559 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719174e-10 2.3026027e-10 1.3602327e-10 ] [ 2.4843936e-10 2.1908231e-10 5.0530205e-10 ] [ 1.8398658e-10 3.7631134e-10 3.17947e-10 ] [ 5.0858568e-10 2.6010093e-10 2.0852771e-10 ] [ 4.7694832e-10 3.1103674e-10 4.476657e-10 ] [ 5.1888113e-10 5.0572569e-10 1.4903428e-10 ] [ 3.8001712e-10 5.1978491e-10 3.6001559e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.42e-05 -2.83e-05 -8e-06 ] [ 1.14e-05 1.39e-05 -2.31e-05 ] [ 2.44e-05 2.52e-05 2.9e-06 ] [ -3.4e-05 -9.5e-06 3.3e-06 ] [ 1.64e-05 -2.8e-06 -6.2e-06 ] [ -9.9e-06 -2.2e-06 2.14e-05 ] [ -2.27e-05 3.7e-06 9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.275090801536e-14 -4.534159836864e-14 -1.28174129664e-14 ] [ 1.826481347712e-14 2.227025502912e-14 -3.701027994048e-14 ] [ 3.909310954752e-14 4.037485084416e-14 4.646312200320001e-15 ] [ -5.44740051072e-14 -1.52206778976e-14 5.28718284864e-15 ] [ 2.627569658112e-14 -4.48609453824e-15 -9.93349504896e-15 ] [ -1.586154854592e-14 -3.52478856576e-15 3.428657968511999e-14 ] [ -3.636940929216e-14 5.928053496960001e-15 1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }