{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5261148 -15.3635059 -9.2074733 ] [ -3.3337253 -5.1871269 14.8989848 ] [ -19.1109661 10.2326183 -4.9463298 ] [ 28.2869892 6.3678027 -32.318384 ] [ 4.683817 3.9502117 31.5732022 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.686469504041687e-08 -2.461504996650286e-08 -1.475199845790022e-08 ] [ -5.341216735829466e-09 -8.31069344830278e-09 2.387080512021456e-08 ] [ -3.061914308632135e-08 1.639446180983024e-08 -7.92489396432634e-09 ] [ 4.53207527690621e-08 1.020234461180712e-08 -5.17797592668368e-08 ] [ 7.504302093505594e-09 6.328936832950624e-09 5.058584640863113e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.5597124 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.211199446725186e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0251315 0.608548 0.608452 ] [ 0.7883737 0.1058786 2.745701 ] [ 0.5182021 2.7558633 0.5402365 ] [ 2.9780544 2.1204232 -0.1925212 ] [ 2.2993673 2.4027354 1.9018329 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0251315e-10 6.08548e-11 6.08452e-11 ] [ 7.883737e-11 1.058786e-11 2.745701e-10 ] [ 5.182021e-11 2.7558633e-10 5.402365e-11 ] [ 2.9780544e-10 2.1204232e-10 -1.925212e-11 ] [ 2.2993673e-10 2.4027354e-10 1.9018329e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3292296 -0.8961873 0.903409 ] [ 0.1987051 -0.415411 -0.5874303 ] [ -0.2851074 1.0046455 -0.1686549 ] [ 0.0704132 0.0494289 1.1748883 ] [ 0.3452187 0.2575239 -1.3222121 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.274839679953357e-10 -1.435850339917876e-09 1.447420778820307e-09 ] [ 3.18360665653726e-10 -6.655617922231487e-10 -9.411670930095302e-10 ] [ -4.567924106970739e-10 1.609619532291926e-09 -2.702149377633619e-10 ] [ 1.128143828357146e-10 7.919382797186111e-11 1.882378566311457e-09 ] [ 5.531013302029689e-10 4.125987718772371e-10 -2.118417314358872e-09 ] ] } "relaxed-potential-energy" { "source-value" -8.0383564 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.287886669373805e-18 } }