{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1659766 -3.0190322 -3.3850992 ] [ -2.9402456 -4.4661564 2.1774209 ] [ -2.7826923 1.752543 -1.1375604 ] [ -3.0488217 1.3706131 4.9528261 ] [ 3.8181123 -3.2318667 -2.9688906 ] [ 3.5212096 4.9455426 -3.5506034 ] [ 3.5984144 2.6483567 3.9119067 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.470277069719874e-09 -4.837022808282389e-09 -5.423526797328784e-09 ] [ -4.710792759730069e-09 -7.155571368916293e-09 3.488612859621295e-09 ] [ -4.45836454594018e-09 2.807883421546695e-09 -1.822572677627896e-09 ] [ -4.884750848727711e-09 2.195964264982212e-09 7.935302184308043e-09 ] [ 6.117290262648916e-09 -5.178021268282048e-09 -4.756687109032885e-09 ] [ 5.641599698056519e-09 7.923632730890445e-09 -5.688693757212991e-09 ] [ 5.765295423630059e-09 4.243135188279039e-09 6.26756545749088e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3904561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.023863935966875e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2029489 1.7974102 1.5785195 ] [ 1.9752337 1.283699 3.8921468 ] [ 1.9152314 4.154532 2.106285 ] [ 2.0598545 3.592214 4.4685368 ] [ 4.5207179 2.1956151 1.2070309 ] [ 4.3343601 4.4070591 2.0692346 ] [ 4.3605784 4.2042235 4.4413223 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2029489e-10 1.7974102e-10 1.5785195e-10 ] [ 1.9752337e-10 1.283699e-10 3.8921468e-10 ] [ 1.9152314e-10 4.154532e-10 2.106285e-10 ] [ 2.0598545e-10 3.592214e-10 4.4685368e-10 ] [ 4.5207179e-10 2.1956151e-10 1.2070309e-10 ] [ 4.3343601e-10 4.4070591e-10 2.0692346e-10 ] [ 4.3605784e-10 4.204223500000001e-10 4.441322300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.1e-06 2.9e-06 5.9e-06 ] [ 1.81e-05 1.06e-05 -3e-06 ] [ -1.7e-05 7e-06 8.6e-06 ] [ 2.2e-06 -3.4e-06 -2.04e-05 ] [ 3.4e-06 -1.88e-05 -3.4e-06 ] [ 7.2e-06 4.9e-06 2.6e-05 ] [ -7.8e-06 -3.2e-06 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.77327738688e-15 4.646312200320001e-15 9.45284206272e-15 ] [ 2.899939683648e-14 1.698307218048e-14 -4.8065298624e-15 ] [ -2.72370025536e-14 1.12152363456e-14 1.377871893888e-14 ] [ 3.52478856576e-15 -5.44740051072e-15 -3.268440306432e-14 ] [ 5.44740051072e-15 -3.012092047104e-14 -5.44740051072e-15 ] [ 1.153567166976e-14 7.850665441919999e-15 4.16565921408e-14 ] [ -1.249697764224e-14 -5.126965186560001e-15 -2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.040115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929039076474339e-18 } }