{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.1368162 -19.6683211 11.1400362 ] [ -32.4378747 -40.4621186 -35.349921 ] [ 4.3065523 50.6627135 38.3678893 ] [ 4.7675644 -10.4934709 -1.8407499 ] [ 1.4231139 6.2599542 -18.9094145 ] [ 14.8038279 13.7012429 6.5921598 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.14344400625867e-08 -3.151212423680734e-08 1.784830555450568e-08 ] [ -5.197120447277982e-08 -6.482746044895682e-08 -5.663681697332696e-08 ] [ 6.899857411312467e-09 8.117061511598855e-08 6.147213522590248e-08 ] [ 7.638480219838381e-09 -1.681239374702514e-08 -2.949206454519938e-09 ] [ 2.280079819315509e-09 1.002955226651877e-08 -3.029622182491652e-08 ] [ 2.371834695972676e-08 2.1951811050282e-08 1.05618043121376e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.12709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.904279980113747e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2497763 -0.4840704 2.0604001 ] [ 0.1521863 1.4596234 1.5604035 ] [ 0.7820255 3.0934292 3.0323467 ] [ 2.9936249 0.1111647 0.7086742 ] [ 1.9502946 2.0733889 0.1666508 ] [ 2.5258866 3.6886777 1.6806465 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2497763e-10 -4.840704e-11 2.0604001e-10 ] [ 1.521863e-11 1.4596234e-10 1.5604035e-10 ] [ 7.820255000000001e-11 3.0934292e-10 3.0323467e-10 ] [ 2.9936249e-10 1.111647e-11 7.086742000000001e-11 ] [ 1.9502946e-10 2.0733889e-10 1.666508e-11 ] [ 2.5258866e-10 3.6886777e-10 1.6806465e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 2.34e-05 -3.25e-05 ] [ 1.09e-05 8e-07 1.1e-05 ] [ -6.5e-06 1.16e-05 1.76e-05 ] [ -4.7e-06 1.55e-05 1.42e-05 ] [ 1.6e-06 -3.16e-05 -4.5e-06 ] [ -6.1e-06 -1.96e-05 -5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 3.749093292672001e-14 -5.207074017599999e-14 ] [ 1.746372516672e-14 1.28174129664e-15 1.76239428288e-14 ] [ -1.04141480352e-14 1.858524880128e-14 2.819830852608e-14 ] [ -7.53023011776e-15 2.48337376224e-14 2.275090801536e-14 ] [ 2.56348259328e-15 -5.062878121728e-14 -7.2097947936e-15 ] [ -9.77327738688e-15 -3.140266176767999e-14 -9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.423131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830187342453573e-18 } }