{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.752033 -12.8808131 -11.9692908 ] [ 4.5176808 -4.9771572 4.0325306 ] [ 1.3399471 6.4300391 -2.3544604 ] [ -10.5565172 10.8572005 6.1191396 ] [ 2.3579015 -3.0997427 1.087205 ] [ 0.1261142 3.7130687 -3.7801509 ] [ 2.9669066 -0.0425953 6.8650269 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.204889700596922e-09 -2.06373377757411e-08 -1.917691804531117e-08 ] [ 7.238122617630427e-09 -7.974284969584862e-09 6.46082630321e-09 ] [ 2.146831934416061e-09 1.030205840172639e-08 -3.772261438558293e-09 ] [ -1.69134051942591e-08 1.739515295175312e-08 9.803942487304106e-09 ] [ 3.77777468857355e-09 -4.966335325352072e-09 1.74189444736797e-09 ] [ 2.020572244556028e-10 5.948991911576755e-09 -6.05646944497407e-09 ] [ 4.753508429780384e-09 -6.82451943782202e-11 1.099898569096145e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0280921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.055891676219992e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6929351 1.5032311 2.4266833 ] [ 2.1716034 1.7692211 4.7575738 ] [ 3.2978588 4.3676365 3.4379771 ] [ 1.0441716 4.0502551 4.588637 ] [ 5.2115291 1.2490523 2.7364089 ] [ 2.6556541 3.668535 1.0591205 ] [ 4.4714038 2.694526 4.702519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6929351e-10 1.5032311e-10 2.4266833e-10 ] [ 2.1716034e-10 1.7692211e-10 4.7575738e-10 ] [ 3.297858800000001e-10 4.3676365e-10 3.4379771e-10 ] [ 1.0441716e-10 4.050255100000001e-10 4.588637e-10 ] [ 5.2115291e-10 1.2490523e-10 2.7364089e-10 ] [ 2.6556541e-10 3.668535e-10 1.0591205e-10 ] [ 4.4714038e-10 2.694526e-10 4.702519e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.39e-05 2.31e-05 3.2e-05 ] [ 2.41e-05 1.32e-05 -2.27e-05 ] [ -1.3e-06 -5.66e-05 1.6e-05 ] [ 2.81e-05 -3.4e-06 -2.35e-05 ] [ -9.3e-06 -1.6e-06 1.73e-05 ] [ -4.65e-05 2.87e-05 -3.49e-05 ] [ -1.9e-05 -3.4e-06 1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.82920215526e-14 3.70102802454e-14 5.126965228799999e-14 ] [ 3.86124568794e-14 2.11487315688e-14 -3.636940959179999e-14 ] [ -2.0828296242e-15 -9.06831974844e-14 2.5634826144e-14 ] [ 4.50211634154e-14 -5.4474005556e-15 -3.765115089899999e-14 ] [ -1.49002426962e-14 -2.5634826144e-15 2.77176557682e-14 ] [ -7.450121348099999e-14 4.598246939579999e-14 -5.59159645266e-14 ] [ -3.0441356046e-14 -5.4474005556e-15 2.515417315379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.707273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.997235568645908e-18 } }