{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.1523575 -37.2022551 -16.7700663 ] [ -7.1435452 -1.1027543 22.5793539 ] [ 5.0380618 28.989166 -23.827418 ] [ -8.2430792 4.7408491 9.3111658 ] [ 4.6917357 -14.7338526 36.22164 ] [ 9.3417949 19.0008972 -29.9565289 ] [ 6.4673896 0.3079497 2.4418535 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.626586996651466e-08 -5.960458385332733e-08 -2.686860837649083e-08 ] [ -1.144522120336286e-08 -1.766807172503026e-09 3.617611322939677e-08 ] [ 8.07186489660798e-09 4.644576440434725e-08 -3.817573236815101e-08 ] [ -1.320686888645141e-08 7.595677653339928e-09 1.491813228005991e-08 ] [ 7.516989311443632e-09 -2.360623436452015e-08 5.803346525315975e-08 ] [ 1.496720550840037e-08 3.044279351887602e-08 -4.799565063932571e-08 ] [ 1.03619005000946e-08 4.933898137873097e-10 3.912280621351119e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6649019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.22805267260822e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5729363 1.606069 1.5961964 ] [ 2.1426499 2.3451112 4.0716639 ] [ 2.6231753 4.0639311 0.888087 ] [ 1.9745659 4.8443933 3.2155428 ] [ 4.7005007 2.3514837 2.9692936 ] [ 5.1537621 3.9760565 1.0515435 ] [ 4.0413628 4.1977683 4.6823739 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5729363e-10 1.606069e-10 1.5961964e-10 ] [ 2.1426499e-10 2.3451112e-10 4.0716639e-10 ] [ 2.6231753e-10 4.0639311e-10 8.88087e-11 ] [ 1.9745659e-10 4.8443933e-10 3.2155428e-10 ] [ 4.7005007e-10 2.3514837e-10 2.9692936e-10 ] [ 5.1537621e-10 3.9760565e-10 1.0515435e-10 ] [ 4.0413628e-10 4.1977683e-10 4.6823739e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.08e-05 7.9e-06 1.53e-05 ] [ -3.9e-06 1.62e-05 -2.14e-05 ] [ 3.28e-05 -9.3e-06 2e-07 ] [ -8.3e-06 -2.16e-05 2.02e-05 ] [ 1.4e-06 1.94e-05 3.9e-06 ] [ -1.2e-05 -2.5e-06 -1.28e-05 ] [ 8e-07 -1e-05 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.73035076472e-14 1.26571954086e-14 2.45133025002e-14 ] [ -6.248488872599999e-15 2.59552614708e-14 -3.42865799676e-14 ] [ 5.255139359519999e-14 -1.49002426962e-14 3.204353268e-16 ] [ -1.32980660622e-14 -3.46070152944e-14 3.236396800679999e-14 ] [ 2.2430472876e-15 3.10822266996e-14 6.248488872599999e-15 ] [ -1.9226119608e-14 -4.005441585e-15 -2.05078609152e-14 ] [ 1.2817413072e-15 -1.602176634e-14 -8.6517538236e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.349567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.901230729541747e-18 } }