{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5408567 -0.246336 1.6002234 ] [ -2.8971148 -0.1597348 -1.8679501 ] [ 1.0811213 -1.9732928 -1.1185904 ] [ 1.1652309 -1.6972929 1.1313598 ] [ -0.9202954 0.3125968 -0.2954845 ] [ 1.0379245 1.3271233 0.5148556 ] [ 1.0739902 2.4369363 0.0355862 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.665479599430393e-10 -3.946737800613888e-10 2.563840519537087e-09 ] [ -4.641689600333668e-09 -2.559233620881639e-10 -2.992785979041022e-09 ] [ 1.732147271108903e-09 -3.161563590152971e-09 -1.79217938713132e-09 ] [ 1.866905705813743e-09 -2.719363003029832e-09 1.812638221272964e-09 ] [ -1.474475774109784e-09 5.008352846968934e-10 -4.734183577087776e-10 ] [ 1.662938368055529e-09 2.126285924178945e-09 8.248896054079565e-10 ] [ 1.720721989408316e-09 3.904402366238856e-09 5.701537766311296e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -19.336713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.098082949171943e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0393572 1.972643 1.5097768 ] [ 2.7369142 1.5339033 3.7744891 ] [ 1.7987746 4.255749 2.057291 ] [ 1.9360165 3.7316867 4.3544096 ] [ 4.3975812 2.1398187 1.9775863 ] [ 4.1405461 4.5360378 1.9690542 ] [ 4.3197352 3.4649145 4.1204691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0393572e-10 1.972643e-10 1.5097768e-10 ] [ 2.7369142e-10 1.5339033e-10 3.7744891e-10 ] [ 1.7987746e-10 4.255749e-10 2.057291e-10 ] [ 1.9360165e-10 3.7316867e-10 4.3544096e-10 ] [ 4.3975812e-10 2.1398187e-10 1.9775863e-10 ] [ 4.1405461e-10 4.5360378e-10 1.9690542e-10 ] [ 4.3197352e-10 3.4649145e-10 4.1204691e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.36e-05 -1.77e-05 -1.8e-05 ] [ -2.86e-05 -2.33e-05 1.84e-05 ] [ 2.21e-05 1.29e-05 1.23e-05 ] [ -2.2e-06 8.9e-06 1.72e-05 ] [ 7.6e-06 2.42e-05 -6.7e-06 ] [ -1.35e-05 -1.2e-05 -1.02e-05 ] [ 1.2e-06 6.9e-06 -1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.178960204288e-14 -2.835852618816e-14 -2.88391791744e-14 ] [ -4.582225135488e-14 -3.733071526464e-14 2.948004982272e-14 ] [ 3.540810331968e-14 2.066807840832e-14 1.970677243584e-14 ] [ -3.52478856576e-15 1.425937192512e-14 2.755743787776e-14 ] [ 1.217654231808e-14 3.877267422336e-14 -1.073458335936e-14 ] [ -2.16293843808e-14 -1.92261194496e-14 -1.634220153216e-14 ] [ 1.92261194496e-15 1.105501868352e-14 -2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.450209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.596919999187375e-18 } }