{ "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" [ [ -5.6026469 -7.0756182 -1.4644285 ] [ -12.2644691 -8.1983247 -0.7905974 ] [ -4.3728243 3.3261845 -5.7553029 ] [ -1.4746405 -3.572521 9.1666126 ] [ 6.5631193 -4.8300241 -6.7168037 ] [ 7.3386859 8.3372422 -1.5323495 ] [ 9.8127757 12.0130612 7.0928694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.976429951732534e-09 -1.133639015114514e-08 -2.346273124863668e-09 ] [ -1.964984582043501e-08 -1.313516427228506e-08 -1.266676681181152e-09 ] [ -7.006036918047406e-09 5.329135086272973e-09 -9.221011827972438e-09 ] [ -2.362634552650077e-09 -5.723809670674313e-09 1.468653252064999e-08 ] [ 1.051527638861444e-08 -7.73855175467688e-09 -1.076150594330474e-08 ] [ 1.175787107324526e-08 1.335773464483876e-08 -2.455094564021583e-09 ] [ 1.572179994122299e-08 1.9247045957452e-08 1.13640296206936e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.264145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.766020972498793e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.233603 2.1790069 1.2582673 ] [ 2.6287589 1.506878 3.7709998 ] [ 1.1048675 4.414264 1.9543042 ] [ 2.1314904 4.0332309 4.3113674 ] [ 4.7741564 1.8560473 2.059833 ] [ 3.7985875 4.3965091 2.0551806 ] [ 4.6974614 3.2488168 4.3531236 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.233603e-10 2.1790069e-10 1.2582673e-10 ] [ 2.6287589e-10 1.506878e-10 3.7709998e-10 ] [ 1.1048675e-10 4.414264e-10 1.9543042e-10 ] [ 2.1314904e-10 4.033230900000001e-10 4.3113674e-10 ] [ 4.7741564e-10 1.8560473e-10 2.059833e-10 ] [ 3.7985875e-10 4.3965091e-10 2.0551806e-10 ] [ 4.6974614e-10 3.2488168e-10 4.3531236e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.53e-05 8e-06 -8e-06 ] [ -9.2e-06 6e-06 8.4e-06 ] [ -3.7e-06 -1.02e-05 8e-06 ] [ 5.5e-06 -8.4e-06 -1.54e-05 ] [ 3.68e-05 -1.01e-05 -2.7e-06 ] [ 1.48e-05 6.5e-06 8.8e-06 ] [ -8.9e-06 8.3e-06 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.655683518019999e-14 1.2817413072e-14 -1.2817413072e-14 ] [ -1.47400250328e-14 9.613059803999999e-15 1.34582837256e-14 ] [ -5.9280535458e-15 -1.63422016668e-14 1.2817413072e-14 ] [ 8.811971486999999e-15 -1.34582837256e-14 -2.46735201636e-14 ] [ 5.896010013119999e-14 -1.61819840034e-14 -4.3258769118e-15 ] [ 2.37122141832e-14 1.0414148121e-14 1.40991543792e-14 ] [ -1.42593720426e-14 1.32980660622e-14 1.2817413072e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.910949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.830956378456566e-18 } }