{ "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" [ [ -0.8668807 -14.1989491 -33.3435723 ] [ -17.3973091 3.3645244 -4.5153976 ] [ -13.2684997 -20.6424451 20.2466698 ] [ 0.3036428 31.5686959 -2.2412165 ] [ 12.759022 -14.8844991 6.7651438 ] [ 17.4850583 4.9588172 -12.4622995 ] [ 0.9849663 9.8338557 25.5506723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.388895990562739e-09 -2.27492242879492e-08 -5.342229199301449e-08 ] [ -2.787356190485109e-08 5.390562333791147e-09 -7.23446446833643e-09 ] [ -2.125848001243181e-08 -3.307284293536752e-08 3.243874100261741e-08 ] [ 4.864893952342502e-10 5.057862652012482e-08 -3.590824678451204e-09 ] [ 2.044220675267286e-08 -2.384759647033864e-08 1.083895523271007e-08 ] [ 2.801415162158499e-08 7.944900984660917e-09 -1.996680490030753e-08 ] [ 1.578089978135879e-09 1.575557369486082e-08 4.093668980478216e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.77344 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.527183679759155e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.227379 2.4035342 0.2708118 ] [ 0.7285458 1.6104601 1.9233598 ] [ 2.0142981 1.6085225 3.9084233 ] [ 3.7916613 4.689501 2.7867762 ] [ 4.1572081 1.0613103 3.0732169 ] [ 4.2374918 2.7850071 1.4572097 ] [ 2.2929158 3.8963339 4.4393564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.227379e-10 2.4035342e-10 2.708118e-11 ] [ 7.285458e-11 1.6104601e-10 1.9233598e-10 ] [ 2.0142981e-10 1.6085225e-10 3.9084233e-10 ] [ 3.7916613e-10 4.689501e-10 2.7867762e-10 ] [ 4.1572081e-10 1.0613103e-10 3.0732169e-10 ] [ 4.2374918e-10 2.7850071e-10 1.4572097e-10 ] [ 2.2929158e-10 3.8963339e-10 4.4393564e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.52e-05 2.38e-05 2.14e-05 ] [ 4.04e-05 -1.89e-05 9.3e-06 ] [ -1.29e-05 -1.97e-05 -2.38e-05 ] [ 1.3e-05 1.04e-05 3.67e-05 ] [ 3.4e-06 -2.88e-05 3.05e-05 ] [ 6e-07 -1.05e-05 -6.16e-05 ] [ -1.93e-05 4.37e-05 -1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.037485084416e-14 3.813180357504e-14 3.428657968511999e-14 ] [ 6.472793548032e-14 -3.028113813312e-14 1.490024257344e-14 ] [ -2.066807840832e-14 -3.156287942976e-14 -3.813180357504e-14 ] [ 2.08282960704e-14 1.666263685632e-14 5.879988198335999e-14 ] [ 5.44740051072e-15 -4.614268667904e-14 4.88663869344e-14 ] [ 9.6130597248e-16 -1.68228545184e-14 -9.869407984128002e-14 ] [ -3.092200878144e-14 7.001511832895999e-14 -2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }