{ "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" [ [ -1.030267 0.5112552 2.5824826 ] [ -3.9792082 1.03156 -2.4430888 ] [ 1.4273268 -3.1436927 -1.9432908 ] [ 2.0914341 -3.0725684 1.4606332 ] [ -1.0425601 0.6467749 -0.3475569 ] [ 1.4234338 1.3350579 0.9228251 ] [ 1.1098405 2.6916131 -0.2320044 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.650669700581754e-09 8.191211287024283e-10 4.137593245342798e-09 ] [ -6.375394347335651e-09 1.652741314952448e-09 -3.914259757898327e-09 ] [ 2.286829629201277e-09 -5.036750946919628e-09 -3.113495087175729e-09 ] [ 3.350846818963889e-09 -4.922797256288863e-09 2.34019236460429e-09 ] [ -1.67036541799891e-09 1.036247623700258e-09 -5.568475395777235e-10 ] [ 2.280592355616503e-09 2.138998554794344e-09 1.478528800307422e-09 ] [ 1.778160501916983e-09 4.312439581059013e-09 -3.717120256027315e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.08891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.058380531855533e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0477193 1.9133584 1.4601332 ] [ 2.690964 1.5699284 3.7651299 ] [ 1.5918802 4.161999 1.8371146 ] [ 2.2019844 3.9820661 4.1695127 ] [ 4.3959115 2.2204591 1.9463171 ] [ 3.9069319 4.6325979 2.3506829 ] [ 4.5335336 3.1543441 4.2341856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0477193e-10 1.9133584e-10 1.4601332e-10 ] [ 2.690964e-10 1.5699284e-10 3.7651299e-10 ] [ 1.5918802e-10 4.161999e-10 1.8371146e-10 ] [ 2.2019844e-10 3.9820661e-10 4.169512700000001e-10 ] [ 4.3959115e-10 2.2204591e-10 1.9463171e-10 ] [ 3.9069319e-10 4.632597900000001e-10 2.3506829e-10 ] [ 4.5335336e-10 3.1543441e-10 4.2341856e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.34e-05 -1.24e-05 3.35e-05 ] [ -1.94e-05 1.68e-05 -6.8e-06 ] [ -2.38e-05 -6e-07 -3.29e-05 ] [ 7e-07 -9.2e-06 1.6e-06 ] [ 2.57e-05 7.8e-06 -4.73e-05 ] [ 1.74e-05 -6.1e-06 2.74e-05 ] [ 1.28e-05 3.6e-06 2.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.146916671872e-14 -1.986699009792e-14 5.36729167968e-14 ] [ -3.108222644352e-14 2.691656722944e-14 -1.089480102144e-14 ] [ -3.813180357504e-14 -9.6130597248e-16 -5.271161082432e-14 ] [ 1.12152363456e-15 -1.474002491136e-14 2.56348259328e-15 ] [ 4.117593915456e-14 1.249697764224e-14 -7.578295416384e-14 ] [ 2.787787320192e-14 -9.77327738688e-15 4.389963940992e-14 ] [ 2.050786074624e-14 5.76783583488e-15 3.909310954752e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.152427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549210063337869e-18 } }