{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7715202 -2.5253729 -11.2570026 ] [ 0.0 0.0 0.0 ] [ -8.3622027 -0.8355741 5.2285564 ] [ 1.6981854 -1.053441 1.7119558 ] [ 8.1014801 -11.0621374 10.9487222 ] [ 2.1765643 12.0725614 -8.9901461 ] [ -2.8425069 3.4039641 2.3579143 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.23611162691494e-09 -4.046093419181896e-09 -1.803570638600481e-08 ] [ 0.0 0.0 0.0 ] [ -1.339772566433064e-08 -1.338737287966001e-09 8.377070824614214e-09 ] [ 2.720792945663896e-09 -1.687798541592173e-09 2.74285555860296e-09 ] [ 1.298000201009645e-08 -1.77234979183573e-08 1.754178673647394e-08 ] [ 3.487240435127918e-09 1.934237562825252e-08 -1.44038018989963e-08 ] [ -4.554198099642684e-09 5.453751699062514e-09 3.777795165309997e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8300486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.094294418584777e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.82277 3.2404597 -0.2239709 ] [ -0.289148 4.17967 5.1485519 ] [ 1.9504626 0.8188309 4.1684214 ] [ 0.2577226 2.2209169 4.3051949 ] [ 4.1182553 1.2016708 4.2062021 ] [ 4.2503971 3.8084779 1.3507969 ] [ 5.0669654 2.9126848 3.1907917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.82277e-10 3.2404597e-10 -2.239709e-11 ] [ -2.89148e-11 4.17967e-10 5.1485519e-10 ] [ 1.9504626e-10 8.188309e-11 4.1684214e-10 ] [ 2.577226e-11 2.2209169e-10 4.3051949e-10 ] [ 4.118255300000001e-10 1.2016708e-10 4.2062021e-10 ] [ 4.2503971e-10 3.8084779e-10 1.3507969e-10 ] [ 5.0669654e-10 2.9126848e-10 3.1907917e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0517342 0.1338996 -0.1759346 ] [ -0.1003412 -0.1319796 -0.1060488 ] [ -0.1666106 0.0202585 0.1636875 ] [ -0.0194312 0.0364354 0.1654251 ] [ 0.2121062 0.1606217 -0.0668652 ] [ 0.2215973 -0.0467149 0.1436008 ] [ -0.0955862 -0.1725207 -0.1238647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.288732573579137e-11 2.145308086544717e-10 -2.818783029097997e-10 ] [ -1.60764324743017e-10 -2.114546295425357e-10 -1.699089080238951e-10 ] [ -2.669396080974605e-10 3.24576950724768e-11 2.622562856172e-10 ] [ -3.113221435408896e-11 5.837594604949631e-11 2.650402277135021e-10 ] [ 3.39831594766729e-10 2.573443325331514e-10 -1.071298601851162e-10 ] [ 3.550380132924039e-10 -7.484552062300991e-11 2.300738444881766e-10 ] [ -1.531459749111129e-10 -2.764086321440506e-10 -1.984531264824058e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.962946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.557545888029288e-18 } }