{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5708048 -1.8593625 -4.8967318 ] [ -4.0638236 2.1341959 -1.4318027 ] [ -0.2323543 -2.3804054 6.2702695 ] [ -2.6060047 4.2815808 -5.2167423 ] [ 0.5027191 0.2962617 -0.2142172 ] [ 3.2273447 0.8037954 -0.0587581 ] [ 1.6013139 -3.2760659 5.5479825 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.51670672640042e-09 -2.97902712709224e-09 -7.845429208287903e-09 ] [ -6.510963162975291e-09 3.419358775187215e-09 -2.294000811538316e-09 ] [ -3.722726272023495e-10 -3.813829879906072e-09 1.004607919901531e-08 ] [ -4.175279804034918e-09 6.859848657826162e-09 -8.35814254979842e-09 ] [ 8.054447888496173e-10 4.746635693784634e-10 -3.432137896132378e-10 ] [ 5.17077622560279e-09 1.287822197786585e-09 -9.414085410262848e-11 ] [ 2.565587693142069e-09 -5.248836193180111e-09 8.888847854107535e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.949439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.715599490147574e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7972873 1.5520559 0.7904902 ] [ 1.0791741 2.7404411 1.870169 ] [ 1.5808114 1.5229062 3.8184608 ] [ 2.6344898 4.4109854 2.5110719 ] [ 3.8634395 1.4062418 2.97589 ] [ 4.3553922 3.2255882 1.4325529 ] [ 3.1389057 3.1964504 4.4605191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7972873e-10 1.5520559e-10 7.904902e-11 ] [ 1.0791741e-10 2.7404411e-10 1.870169e-10 ] [ 1.5808114e-10 1.5229062e-10 3.8184608e-10 ] [ 2.6344898e-10 4.410985400000001e-10 2.5110719e-10 ] [ 3.863439500000001e-10 1.4062418e-10 2.97589e-10 ] [ 4.3553922e-10 3.2255882e-10 1.4325529e-10 ] [ 3.1389057e-10 3.1964504e-10 4.4605191e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.44e-05 -1.96e-05 -3.5e-05 ] [ 9.7e-06 -6.8e-06 -2.57e-05 ] [ -8e-06 1.12e-05 4.4e-06 ] [ -2.4e-06 -1.24e-05 1.78e-05 ] [ 3.7e-06 3e-07 5.7e-06 ] [ -3.7e-06 1.1e-05 -8e-06 ] [ 1.52e-05 1.64e-05 4.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.307134333952e-14 -3.140266176767999e-14 -5.6076181728e-14 ] [ 1.554111322176e-14 -1.089480102144e-14 -4.117593915456e-14 ] [ -1.28174129664e-14 1.794437815296e-14 7.04957713152e-15 ] [ -3.84522388992e-15 -1.986699009792e-14 2.851874385024e-14 ] [ 5.928053496960001e-15 4.8065298624e-16 9.13240673856e-15 ] [ -5.928053496960001e-15 1.76239428288e-14 -1.28174129664e-14 ] [ 2.435308463616e-14 2.627569658112e-14 6.536880612864e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }