{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6279598 0.3147512 0.8586517 ] [ 1.5341704 -0.4687325 -0.2844437 ] [ 0.6553074 1.0426751 1.0164879 ] [ 0.2249619 0.0349543 -0.1603305 ] [ -0.3510012 0.0995696 -0.5301838 ] [ -0.3188782 0.6564762 -0.5013519 ] [ -1.1166005 -1.6796938 -0.3988298 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.006102510362244e-09 5.04287014008745e-10 1.375711679150175e-09 ] [ 2.458011947203384e-09 -7.50992252909136e-10 -4.55729046073849e-10 ] [ 1.049918195717234e-09 1.670549668310302e-09 1.628593148706088e-09 ] [ 3.604286967507475e-10 5.600296225642945e-11 -2.568777787011744e-10 ] [ -5.62365916512745e-10 1.595280852624077e-10 -8.494480890869031e-10 ] [ -5.108991969227865e-10 1.051790819751625e-09 -8.032542929736595e-10 ] [ -1.788991215873591e-09 -2.691166136462711e-09 -6.389957812383398e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.248955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.923804905503126e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.13578 1.8540539 1.3017952 ] [ 2.5648468 4.0866159 1.6927629 ] [ 5.3433156 2.7729592 1.4336905 ] [ 3.3802971 0.9629905 3.4825107 ] [ 5.7157622 1.3944087 3.3178868 ] [ 4.3755553 2.8364903 4.6565073 ] [ 4.5150271 4.4503856 2.9287392 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.13578e-10 1.8540539e-10 1.3017952e-10 ] [ 2.5648468e-10 4.0866159e-10 1.6927629e-10 ] [ 5.343315600000001e-10 2.7729592e-10 1.4336905e-10 ] [ 3.3802971e-10 9.629905e-11 3.4825107e-10 ] [ 5.7157622e-10 1.3944087e-10 3.3178868e-10 ] [ 4.3755553e-10 2.8364903e-10 4.6565073e-10 ] [ 4.5150271e-10 4.4503856e-10 2.9287392e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 -2.65e-05 -3.9e-06 ] [ -2.64e-05 3.35e-05 6e-07 ] [ 2.22e-05 -9.1e-06 -2.5e-06 ] [ -2.27e-05 -1.53e-05 4.7e-06 ] [ 1.24e-05 7.6e-06 1.1e-05 ] [ 1.22e-05 -1.54e-05 -1.2e-05 ] [ 1.6e-06 2.52e-05 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 -4.24576804512e-14 -6.24848882112e-15 ] [ -4.229746278912e-14 5.36729167968e-14 9.6130597248e-16 ] [ 3.556832098176e-14 -1.457980724928e-14 -4.005441552e-15 ] [ -3.636940929216e-14 -2.451330229824e-14 7.53023011776e-15 ] [ 1.986699009792e-14 1.217654231808e-14 1.76239428288e-14 ] [ 1.954655477376e-14 -2.467351996032e-14 -1.92261194496e-14 ] [ 2.56348259328e-15 4.037485084416e-14 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.126865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.384896917379779e-18 } }