{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2950115 -3.7611562 1.0586422 ] [ -1.1432981 0.2967319 -1.9706225 ] [ -1.0348728 0.6092831 1.928566 ] [ 2.4678107 3.527263 -0.196407 ] [ 0.2360137 -1.3693235 0.561262 ] [ -0.1302433 0.9243973 -0.7057166 ] [ 0.8996012 -0.2271956 -0.6757241 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.074837166061291e-09 -6.02603658046423e-09 1.696131796606355e-09 ] [ -1.831765501516595e-09 4.754169167424245e-10 -3.157285323934665e-09 ] [ -1.658049019322155e-09 9.761791463110853e-10 3.089903382326844e-09 ] [ 3.953868640675183e-09 5.651298360572742e-09 -3.14678706154038e-10 ] [ 3.781356354438857e-10 -2.193898116087099e-09 8.99240861952108e-10 ] [ -2.086727719950522e-10 1.481047754592688e-09 -1.130682646745924e-09 ] [ 1.44132002255836e-09 -3.640074816676103e-10 -1.082629364050679e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.622153005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.663162515261042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5820976 0.2523317 2.8097414 ] [ 1.420262 2.2560799 2.523565 ] [ 1.8234814 2.6044231 4.808029 ] [ 3.5401479 3.1752461 2.1949475 ] [ 2.9544738 0.6093873 5.1596779 ] [ 4.5377306 1.4485761 3.5424715 ] [ 3.9211548 3.5586427 4.5393427 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5820976e-10 2.523317e-11 2.8097414e-10 ] [ 1.420262e-10 2.2560799e-10 2.523565e-10 ] [ 1.8234814e-10 2.6044231e-10 4.808029e-10 ] [ 3.5401479e-10 3.1752461e-10 2.1949475e-10 ] [ 2.9544738e-10 6.093873e-11 5.1596779e-10 ] [ 4.5377306e-10 1.4485761e-10 3.5424715e-10 ] [ 3.9211548e-10 3.5586427e-10 4.5393427e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-05 -1.67e-05 1.3e-06 ] [ -2.24e-05 1.28e-05 -1.58e-05 ] [ -2.62e-05 3e-07 2.71e-05 ] [ 9.8e-06 7.9e-06 -2.31e-05 ] [ -5.5e-06 -2.05e-05 9.7e-06 ] [ 7e-07 -1.19e-05 -6.1e-06 ] [ 2.37e-05 2.81e-05 6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.204353268e-14 -2.67563497878e-14 2.0828296242e-15 ] [ -3.588875660159999e-14 2.05078609152e-14 -2.53143908172e-14 ] [ -4.197702781079999e-14 4.806529901999999e-16 4.34189867814e-14 ] [ 1.57013310132e-14 1.26571954086e-14 -3.70102802454e-14 ] [ -8.811971486999999e-15 -3.2844620997e-14 1.55411133498e-14 ] [ 1.1215236438e-15 -1.90659019446e-14 -9.773277467399999e-15 ] [ 3.79715862258e-14 4.50211634154e-14 1.10550187746e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }