{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7545076 -7.312909 -8.5563174 ] [ 0.5526244 -2.1382196 14.8233343 ] [ -9.971796 7.1210391 -3.3234311 ] [ -0.224115 -3.175018 -3.5965562 ] [ 5.9069603 -1.7254384 3.5067146 ] [ 3.0206952 -0.441088 -6.3877048 ] [ 7.4701386 7.671634 3.5339605 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.082191425089542e-08 -1.171657192636831e-08 -1.370873181136763e-08 ] [ 8.854019010582696e-10 -3.425805481480826e-09 2.374959985343074e-08 ] [ -1.597657855021466e-08 1.140916245582039e-08 -5.324723653128917e-09 ] [ -3.5907181632891e-10 -5.086939652129412e-09 -5.762318306507831e-09 ] [ 9.463993770625628e-09 -2.764457087886345e-09 5.618376194226656e-09 ] [ 4.839687267875956e-09 -7.067008871377918e-10 -1.023423137544964e-08 ] [ 1.196848151766147e-08 1.229131273939995e-08 5.662028938578957e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.31081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.651973885961354e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5551706 1.7909845 2.4090154 ] [ 2.2464758 2.6258818 4.6682988 ] [ 2.0456132 4.3161302 2.7154744 ] [ 3.8932709 1.7074401 1.7552514 ] [ 4.5692725 2.5238931 3.9645153 ] [ 3.85825 3.9792222 0.8956734 ] [ 4.5495361 4.81416 3.1549463 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5551706e-10 1.7909845e-10 2.4090154e-10 ] [ 2.2464758e-10 2.6258818e-10 4.6682988e-10 ] [ 2.0456132e-10 4.3161302e-10 2.7154744e-10 ] [ 3.8932709e-10 1.7074401e-10 1.7552514e-10 ] [ 4.5692725e-10 2.5238931e-10 3.9645153e-10 ] [ 3.85825e-10 3.9792222e-10 8.956734e-11 ] [ 4.5495361e-10 4.81416e-10 3.1549463e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 1.4e-06 -8e-06 ] [ 6.3e-06 3.61e-05 1.48e-05 ] [ 2.95e-05 -3.1e-05 -1.68e-05 ] [ 6.6e-06 1.32e-05 -1.76e-05 ] [ -1.15e-05 2.8e-06 4.1e-06 ] [ -3.42e-05 -5e-07 -8.6e-06 ] [ -4.6e-06 -2.2e-05 3.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2817413072e-14 2.2430472876e-15 -1.2817413072e-14 ] [ 1.00937127942e-14 5.783857648740001e-14 2.37122141832e-14 ] [ 4.726421070299999e-14 -4.966747565399999e-14 -2.691656745119999e-14 ] [ 1.05743657844e-14 2.11487315688e-14 -2.81983087584e-14 ] [ -1.8425031291e-14 4.486094575199999e-15 6.568924199399999e-15 ] [ -5.479444088279999e-14 -8.010883169999999e-16 -1.37787190524e-14 ] [ -7.370012516399999e-15 -3.5247885948e-14 5.11094346246e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586672135423e-18 } }