{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3304739 0.547106 0.7085829 ] [ -5.4042716 -8.3010085 0.4681762 ] [ 11.0806407 -0.5417384 -7.8515084 ] [ -8.7467775 6.5049049 -6.7449627 ] [ 3.4008823 1.790736 13.419712 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.29477556364597e-10 8.765604422994049e-10 1.135274956278664e-09 ] [ -8.65859760997341e-09 -1.329968174776208e-08 7.50100962054985e-10 ] [ 1.775314347302495e-08 -8.679605990695987e-10 -1.257950319649482e-08 ] [ -1.401388241783947e-08 1.042200655130736e-08 -1.080662154610805e-08 ] [ 5.448814111152533e-09 2.869075353224909e-09 2.150074882426921e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.9948708 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.798311978076593e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0712703 3.2875482 2.5749129 ] [ 2.780956 -0.0254358 1.7808681 ] [ 2.7613383 1.2772181 -0.1949227 ] [ 1.407773 3.169426 0.2363149 ] [ 2.1076652 1.3967222 3.5483667 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0712703e-10 3.2875482e-10 2.5749129e-10 ] [ 2.780956e-10 -2.54358e-12 1.7808681e-10 ] [ 2.7613383e-10 1.2772181e-10 -1.949227e-11 ] [ 1.407773e-10 3.169426e-10 2.363149e-11 ] [ 2.1076652e-10 1.3967222e-10 3.5483667e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 3.2e-06 -5.5e-06 ] [ -1.3e-06 6.4e-06 -1.08e-05 ] [ 1.1e-05 -2.01e-05 -1.7e-06 ] [ -7.6e-06 1.11e-05 1.05e-05 ] [ 1.6e-06 -6e-07 7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.928053496960001e-15 5.126965186560001e-15 -8.8119714144e-15 ] [ -2.08282960704e-15 1.025393037312e-14 -1.730350750464e-14 ] [ 1.76239428288e-14 -3.220375007808e-14 -2.72370025536e-15 ] [ -1.217654231808e-14 1.778416049088e-14 1.68228545184e-14 ] [ 2.56348259328e-15 -9.6130597248e-16 1.185610699392e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }