{ "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" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.3316875 -95.6110432 -22.245747 ] [ -34.5243781 11.2075839 63.2028254 ] [ -34.9885718 16.3371797 -53.6969452 ] [ -7.5336379 28.54674 0.2452059 ] [ 35.9701653 18.7538464 -43.1612329 ] [ 60.40811 20.7656932 55.6558939 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.097277775311161e-08 -1.531857781053388e-07 -3.564161575563174e-08 ] [ -5.531415143947953e-08 1.795652890023448e-08 1.012620892243844e-07 ] [ -5.605787173314217e-08 2.617504736514836e-08 -8.603199020781878e-08 ] [ -1.207021851295281e-08 4.57369194280562e-08 3.928631602622228e-10 ] [ 5.763055788997142e-08 3.004697425215425e-08 -6.91519182772838e-08 ] [ 9.67844615487147e-08 3.327030815974554e-08 8.917057201630534e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 95.554134 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.530945995155904e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.1471703 -0.6878425 1.4264639 ] [ 0.6723973 1.3303868 2.9639087 ] [ 0.7087352 1.8894186 -0.0932066 ] [ -0.1083589 3.1261147 1.615685 ] [ 2.9099834 1.5576133 0.1774557 ] [ 3.0671093 1.3856281 2.3958207 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1471703e-10 -6.878425e-11 1.4264639e-10 ] [ 6.723973e-11 1.3303868e-10 2.9639087e-10 ] [ 7.087352e-11 1.8894186e-10 -9.320660000000001e-12 ] [ -1.083589e-11 3.1261147e-10 1.615685e-10 ] [ 2.9099834e-10 1.5576133e-10 1.774557e-11 ] [ 3.0671093e-10 1.3856281e-10 2.3958207e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2709076 0.0911978 0.293413 ] [ -0.1388178 -0.1948655 0.0934831 ] [ 0.2908792 0.04685 -0.1047264 ] [ -0.1020899 -0.1281007 0.0937028 ] [ 0.1589045 0.1417313 -0.1568264 ] [ 0.0620317 0.0431871 -0.2190461 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.340418231170382e-10 1.461149830283942e-10 4.700994488387904e-10 ] [ -2.224106337108902e-10 -3.122089483005023e-10 1.497764372599085e-10 ] [ 4.660398537170074e-10 7.506197468448001e-11 -1.677901896605491e-10 ] [ -1.635660509998099e-10 -2.052399466481146e-10 1.501284354634983e-10 ] [ 2.545930748399136e-10 2.27078575295591e-10 -2.512635916042292e-10 ] [ 9.938573948847937e-11 6.919336194015168e-11 -3.509505402974189e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.158135 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.428600951193021e-18 } }