{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6788974 -2.3322935 -0.5905177 ] [ -2.3735152 1.1954811 1.4893889 ] [ -4.484468 3.062613 1.8877035 ] [ -2.4579945 -8.1503093 -4.4108602 ] [ 0.7411117 0.6015385 2.7619538 ] [ 3.1258088 6.1436977 -4.1734102 ] [ 6.1279546 -0.5207275 3.0357419 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.087713542201906e-09 -3.736746118543805e-09 -9.461136531085883e-10 ] [ -3.802790562553437e-09 1.915371869028267e-09 2.386264074859029e-09 ] [ -7.184909786325734e-09 4.90684694715815e-09 3.024434414702333e-09 ] [ -3.938141321954985e-09 -1.305823501274881e-08 -7.066977090057213e-09 ] [ 1.187391839141343e-09 9.637709212111008e-10 4.425137806089719e-09 ] [ 5.008097780450904e-09 9.843288820202732e-09 -6.686540251448253e-09 ] [ 9.818065593443814e-09 -8.34297426307632e-10 4.863794698962972e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.162512 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.070172872219945e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2427575 0.597659 3.7357738 ] [ 1.511158 3.0756599 4.0600443 ] [ 1.6781397 4.9660286 2.6469736 ] [ 3.2158298 2.464817 2.2889768 ] [ 3.7696038 2.343392 4.8208263 ] [ 3.9546693 4.9388942 2.0761949 ] [ 5.4023269 3.4395239 3.3775324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2427575e-10 5.97659e-11 3.7357738e-10 ] [ 1.511158e-10 3.0756599e-10 4.0600443e-10 ] [ 1.6781397e-10 4.966028599999999e-10 2.6469736e-10 ] [ 3.2158298e-10 2.464817e-10 2.2889768e-10 ] [ 3.7696038e-10 2.343392e-10 4.820826300000001e-10 ] [ 3.9546693e-10 4.9388942e-10 2.0761949e-10 ] [ 5.402326900000001e-10 3.4395239e-10 3.377532400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.2e-06 -3.12e-05 -1.62e-05 ] [ -7.44e-05 1.51e-05 6.14e-05 ] [ -0.0001242 0.0002129 6.47e-05 ] [ 0.0002358 -0.0002711 -5.7e-05 ] [ 5.2e-06 6.68e-05 -1.75e-05 ] [ 5.35e-05 2.52e-05 3.5e-06 ] [ -9.17e-05 -1.77e-05 -3.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.72914180736e-15 -4.998791056896e-14 -2.595526125696e-14 ] [ -1.1920194058752e-13 2.419286697408e-14 9.837364451712e-14 ] [ -1.9899033630336e-13 3.4110340256832e-13 1.0366082736576e-13 ] [ 3.7779324718464e-13 -4.3435008189888e-13 -9.13240673856e-14 ] [ 8.33131842816e-15 1.0702539826944e-13 -2.8038090864e-14 ] [ 8.57164492128e-14 4.037485084416e-14 5.6076181728e-15 ] [ -1.4691959612736e-13 -2.835852618816e-14 -6.232467054911999e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.282736 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.730305528745851e-18 } }