{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3724432 -4.1925287 -9.2716374 ] [ 1.3346873 -5.7856311 5.4947896 ] [ -1.4581611 4.7348131 -1.7364085 ] [ -8.769966 2.6988175 1.0657261 ] [ 7.5209966 2.5445292 4.4475303 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.198896426532189e-09 -6.717171520514396e-09 -1.485480080120051e-08 ] [ 2.138404805756548e-09 -9.269602961363716e-09 8.803623505866204e-09 ] [ -2.336231643027737e-09 7.586006915177105e-09 -2.782033125778989e-09 ] [ -1.405103460617444e-08 4.323982337930295e-09 1.707481455663947e-09 ] [ 1.204996501691344e-08 4.076785228770712e-09 7.12572912566701e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.24272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.39976348260448e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6565822 2.0257463 0.7214346 ] [ 0.967889 1.7657678 4.6420208 ] [ 0.6793667 5.2900412 2.7956362 ] [ 1.8893296 3.1691566 2.867541 ] [ 4.2534801 3.5950712 3.3110724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6565822e-10 2.0257463e-10 7.214346e-11 ] [ 9.678890000000001e-11 1.7657678e-10 4.6420208e-10 ] [ 6.793667e-11 5.2900412e-10 2.7956362e-10 ] [ 1.8893296e-10 3.1691566e-10 2.867541e-10 ] [ 4.2534801e-10 3.5950712e-10 3.3110724e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -1e-07 -2e-07 ] [ 0.0 1e-07 -1e-07 ] [ 7e-07 -1.1e-06 1e-07 ] [ -2.1e-06 1e-06 -0.0 ] [ 1.4e-06 2e-07 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -1.602176634e-16 -3.204353268e-16 ] [ 0.0 1.602176634e-16 -1.602176634e-16 ] [ 1.1215236438e-15 -1.7623942974e-15 1.602176634e-16 ] [ -3.364570931399999e-15 1.602176634e-15 0.0 ] [ 2.2430472876e-15 3.204353268e-16 3.204353268e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.268874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.965690324829012e-18 } }