{ "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" [ [ 1.715482 1.558119 0.3191032 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.842985 1.188798 1.171985 ] [ 3.145034 3.056438 0.3971002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.715482e-10 1.558119e-10 3.191032e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.842985e-10 1.188798e-10 1.171985e-10 ] [ 3.145034e-10 3.056438e-10 3.971002e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4902046 -1.3370369 -0.585759 ] [ -0.7665555 0.4221161 0.479767 ] [ 1.5399822 -1.5242692 0.1648118 ] [ 1.8167662 -2.2288285 1.1896518 ] [ 0.9000118 4.6680186 -1.2484715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.591924257999316e-09 -2.142169279975795e-09 -9.38489382955206e-10 ] [ -1.228157310764187e-09 6.763045522552073e-10 7.686714771642779e-10 ] [ 2.467323497615915e-09 -2.442148496165873e-09 2.640576149674812e-10 ] [ 2.910780355080971e-09 -3.570976943893269e-09 1.906032316556041e-09 ] [ 1.441977876284281e-09 7.478990327997391e-09 -2.000271865514931e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.141619832689672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.464648969284638e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3437217 1.256897 0.1819339 ] [ 2.1486468 2.4553452 2.9118458 ] [ 1.1136046 3.47419 1.0230659 ] [ 3.4715142 1.3808403 1.2468206 ] [ 3.3853101 3.5703045 0.3110494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3437217e-10 1.256897e-10 1.819339e-11 ] [ 2.1486468e-10 2.4553452e-10 2.9118458e-10 ] [ 1.1136046e-10 3.47419e-10 1.0230659e-10 ] [ 3.4715142e-10 1.3808403e-10 1.2468206e-10 ] [ 3.3853101e-10 3.5703045e-10 3.110494e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 1.6e-06 -2.8e-06 ] [ 6e-06 3.9e-06 -8.4e-06 ] [ -6e-07 9.6e-06 -2.4e-06 ] [ 7.2e-06 2.4e-06 -1.4e-06 ] [ -1.57e-05 -1.75e-05 1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.1269652288e-15 2.5634826144e-15 -4.486094575199999e-15 ] [ 9.613059803999999e-15 6.248488872599999e-15 -1.34582837256e-14 ] [ -9.613059803999998e-16 1.53808956864e-14 -3.845223921599999e-15 ] [ 1.15356717648e-14 3.845223921599999e-15 -2.2430472876e-15 ] [ -2.515417315379999e-14 -2.8038091095e-14 2.403264951e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }