{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8778623000000003 -0.8176991000000002 -2.6506046000000003 ] [ 0.6055314000000002 0.24536910000000006 -0.8542340000000003 ] [ 1.0929984000000001 0.6311624000000001 -1.0687332000000003 ] [ -0.30138100000000007 1.2203544000000002 3.605017100000001 ] [ 1.7452281000000005 0.19390650000000006 0.8519046000000002 ] [ -0.9139810000000003 -2.6485565000000006 -2.1101053000000003 ] [ -2.0016622000000006 0.9709778000000002 -0.5029241000000001 ] [ -3.104596000000001 0.20448540000000007 2.7296795000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.610843732929497e-09 -1.31009839166283e-09 -4.246736756092916e-09 ] [ 9.701682602333078e-10 3.931246387256095e-10 -1.368633754768356e-09 ] [ 1.751176497479386e-09 1.011233649539362e-09 -1.712299361020049e-09 ] [ -4.828655961315541e-10 1.95522330487909e-09 5.775874162790442e-09 ] [ 2.796163682820216e-09 3.106724634807211e-10 1.364901644517117e-09 ] [ -1.464359002119954e-09 -4.243455338128822e-09 -3.38076140693956e-09 ] [ -3.207016406001035e-09 1.555677943292725e-09 -8.057732416954795e-10 ] [ -4.974111169209865e-09 3.276217298741437e-10 4.373428713208804e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.519438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.690841361641169e-18 } }