{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.407789 -2.0450674 -0.6043959 ] [ -1.4853081 2.1005749 0.6484688 ] [ -1.5877968 2.1232851 0.1991569 ] [ 1.5415634 -2.2170255 1.3707567 ] [ -1.1647947 1.1469543 -0.6668098 ] [ 2.015878 -0.1292503 -0.9319163 ] [ 0.2726692 -0.9794711 -0.0152603 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.533500020194113e-10 -3.276559176240242e-09 -9.683489806873748e-10 ] [ -2.379725912504869e-09 3.365491995019298e-09 1.038961550678231e-09 ] [ -2.543930911541053e-09 3.40187774651299e-09 3.190845290510035e-10 ] [ 2.469856838960959e-09 -3.552066423817431e-09 2.196194337544959e-09 ] [ -1.86620683637175e-09 1.83762336458603e-09 -1.068347072080324e-09 ] [ 3.229792601985062e-09 -2.070818088913863e-10 -1.493094508402439e-09 ] [ 4.368642174522394e-10 -1.569285697169259e-09 -2.444969588639424e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -19.474512 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.120160782788905e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8928314 1.859601 3.1035505 ] [ 3.2508836 3.9343873 0.9114139 ] [ 2.1463491 4.2373963 3.012514 ] [ 3.450623 1.5963414 1.32086 ] [ 5.1857378 2.1005301 2.8730081 ] [ 4.5803507 4.4154826 2.8420964 ] [ 3.5765115 2.8819143 4.4624403 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8928314e-10 1.859601e-10 3.1035505e-10 ] [ 3.2508836e-10 3.9343873e-10 9.114139000000001e-11 ] [ 2.1463491e-10 4.2373963e-10 3.012514e-10 ] [ 3.450623000000001e-10 1.5963414e-10 1.32086e-10 ] [ 5.1857378e-10 2.1005301e-10 2.8730081e-10 ] [ 4.580350700000001e-10 4.4154826e-10 2.8420964e-10 ] [ 3.5765115e-10 2.8819143e-10 4.4624403e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-06 3.1e-06 2.9e-06 ] [ 2.3e-05 2.2e-06 -1.31e-05 ] [ -3.7e-06 4.74e-05 2.38e-05 ] [ -1.12e-05 -6.53e-05 -3.51e-05 ] [ 3.16e-05 1e-07 -1.3e-06 ] [ -3.58e-05 2.83e-05 1.1e-05 ] [ 4.9e-06 -1.58e-05 1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44195895872e-14 4.96674752448e-15 4.646312200320001e-15 ] [ 3.68500622784e-14 3.52478856576e-15 -2.098851373248e-14 ] [ -5.928053496960001e-15 7.594317182591999e-14 3.813180357504e-14 ] [ -1.794437815296e-14 -1.0462213333824e-13 -5.623639939008e-14 ] [ 5.062878121728e-14 1.6021766208e-16 -2.08282960704e-15 ] [ -5.735792302464001e-14 4.534159836864e-14 1.76239428288e-14 ] [ 7.850665441919999e-15 -2.531439060864e-14 1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }