{ "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" [ [ 2.9454617000000005 0.6582261000000001 -2.6584308000000005 ] [ 0.5921475000000002 0.21957660000000007 -0.7189756000000002 ] [ 1.1286474000000002 0.7011019000000001 -1.3318169000000002 ] [ 0.33168800000000004 0.7897799000000002 2.6887947000000003 ] [ 0.9548642000000003 0.04314380000000001 0.7885224000000002 ] [ -0.3877062000000001 -2.5569272000000005 -1.9495646000000004 ] [ -2.1260779000000003 1.1121690000000002 -0.13319450000000002 ] [ -3.439024700000001 -0.9670700000000002 3.314665100000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.719149912081918e-09 1.054594477308947e-09 -4.259275710865928e-09 ] [ 9.487248883815151e-10 3.518004978931645e-10 -1.151925906736131e-09 ] [ 1.808292492304852e-09 1.123289082233005e-09 -2.133805917946315e-09 ] [ 5.31422763378192e-10 1.265366901782857e-09 4.30792404196304e-09 ] [ 1.529861109883103e-09 6.91239882619692e-11 1.263352164665602e-09 ] [ -6.211738144969309e-10 -4.096649014679045e-09 -3.123546848593557e-09 ] [ -3.406352333443789e-09 1.781891184859146e-09 -2.13401115677313e-10 ] [ -5.50992501808886e-09 -1.54941695744238e-09 5.310678972755274e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.451469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.679951527277535e-18 } }