{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.616061 2.621535 1.403689 ] [ 0.7250895 5.039665 2.091083 ] [ 2.961807 4.812326 1.76803 ] [ 3.86556 2.819524 0.0440365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.616061e-10 2.621535000000001e-10 1.403689e-10 ] [ 7.250895e-11 5.039665000000001e-10 2.091083e-10 ] [ 2.961807e-10 4.812326e-10 1.76803e-10 ] [ 3.86556e-10 2.819524e-10 4.40365e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.88596 1.4638328 -0.1892234 ] [ 0.1085508 -0.9930803 -0.3550066 ] [ 0.3408604 -1.0168776 -0.5243709 ] [ -1.3353712 0.5461251 1.0686009 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.419464398963968e-09 2.345318688920202e-09 -3.031693075882868e-10 ] [ 1.739175539291366e-10 -1.59109003923705e-09 -5.687832747496973e-10 ] [ 5.461185638365363e-10 -1.629217516935214e-09 -8.401347966078547e-10 ] [ -2.139500516729641e-09 8.749888672520622e-10 1.712087378945839e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.6614705193879598 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.264145843111823e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7603962 2.7291116 1.6286869 ] [ 0.871171 4.8329846 1.6763771 ] [ 3.1293246 4.5636152 1.8942288 ] [ 3.4076257 3.1673387 0.1075458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7603962e-10 2.7291116e-10 1.6286869e-10 ] [ 8.711710000000001e-11 4.832984599999999e-10 1.6763771e-10 ] [ 3.1293246e-10 4.5636152e-10 1.8942288e-10 ] [ 3.4076257e-10 3.1673387e-10 1.075458e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 2.3e-06 -2.1e-06 ] [ -5e-07 -1.1e-06 -2e-07 ] [ 3e-07 1.8e-06 3.1e-06 ] [ -2e-06 -3e-06 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-15 3.68500622784e-15 -3.36457090368e-15 ] [ -8.010883104e-16 -1.76239428288e-15 -3.2043532416e-16 ] [ 4.8065298624e-16 2.88391791744e-15 4.96674752448e-15 ] [ -3.2043532416e-15 -4.8065298624e-15 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -3.8437085193879597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.158299926933172e-19 } }