{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.993524 1.997967 0.9576204 ] [ 2.385878 2.876706 2.947868 ] [ 2.853087 4.16342 1.184171 ] [ 3.781435 0.9707609 1.823891 ] [ 5.674201 1.959984 2.894152 ] [ 4.915062 3.13192 0.9889037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.993524e-10 1.997967e-10 9.576204e-11 ] [ 2.385878e-10 2.876706e-10 2.947868e-10 ] [ 2.853087e-10 4.16342e-10 1.184171e-10 ] [ 3.781435e-10 9.707609000000001e-11 1.823891e-10 ] [ 5.674201e-10 1.959984e-10 2.894152e-10 ] [ 4.915062e-10 3.13192e-10 9.889037000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4225956 -2.0645129 -5.524257 ] [ -0.3907529 -0.2041374 6.9578068 ] [ 0.6691747 4.2698732 -2.6269023 ] [ 1.8923654 -2.2244627 1.0064169 ] [ 1.3946705 -0.242861 1.2163602 ] [ 0.8571379 0.4661007 -1.0294247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.085779273572949e-09 -3.307714301720008e-09 -8.850835412690747e-09 ] [ -6.260551608898004e-10 -3.27064169710898e-10 1.114763538700326e-08 ] [ 1.072136059570854e-09 6.841091014820482e-09 -4.208761450185747e-09 ] [ 3.03190360189084e-09 -3.563982131781644e-09 1.612457627958012e-09 ] [ 2.234508468819447e-09 -3.891062163041088e-10 1.948823874911612e-09 ] [ 1.373286304181608e-09 7.467756444785145e-10 -1.649320187214054e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.157731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.78766557493754e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8109475 1.7835832 0.6893705 ] [ 1.8418564 2.9271072 3.0447563 ] [ 2.8326191 4.0855815 1.0127529 ] [ 3.7595268 1.3892073 2.3148013 ] [ 6.241181 1.5152678 2.4493977 ] [ 5.1170562 3.4000109 1.2855274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8109475e-10 1.7835832e-10 6.893705e-11 ] [ 1.8418564e-10 2.9271072e-10 3.0447563e-10 ] [ 2.8326191e-10 4.0855815e-10 1.0127529e-10 ] [ 3.7595268e-10 1.3892073e-10 2.3148013e-10 ] [ 6.241181e-10 1.5152678e-10 2.4493977e-10 ] [ 5.1170562e-10 3.4000109e-10 1.2855274e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 -1e-06 -9.4e-06 ] [ -3.8e-06 -5.2e-06 1.61e-05 ] [ 6.3e-06 3.4e-06 -1.01e-05 ] [ 6.9e-06 -4.4e-06 8.6e-06 ] [ -6.2e-06 -7.8e-06 3.3e-06 ] [ 4e-07 1.5e-05 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.76783583488e-15 -1.6021766208e-15 -1.506046023552e-14 ] [ -6.08827115904e-15 -8.33131842816e-15 2.579504359488e-14 ] [ 1.009371271104e-14 5.44740051072e-15 -1.618198387008e-14 ] [ 1.105501868352e-14 -7.04957713152e-15 1.377871893888e-14 ] [ -9.93349504896e-15 -1.249697764224e-14 5.28718284864e-15 ] [ 6.408706483200001e-16 2.4032649312e-14 -1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.333823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.136313947648532e-18 } }