{ "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" [ [ 2.2868376000000006 0.5218123000000001 -2.0045103000000006 ] [ 0.36778320000000003 0.4514880000000001 -0.8257675000000002 ] [ 0.8148439000000002 0.4059474000000001 -1.0792607000000003 ] [ 0.29467720000000003 0.6531863000000001 2.1932029000000006 ] [ 0.9127016000000002 -0.06334400000000001 0.7478075000000001 ] [ -0.08264280000000002 -1.9486028000000004 -1.7405732000000005 ] [ -1.8126804000000005 0.8130864000000002 0.08117760000000002 ] [ -2.7815202000000006 -0.8335736000000002 2.6279236000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.663917738286383e-09 8.36035467505876e-10 -3.211579538812795e-09 ] [ 5.892536445630106e-10 7.233635181717506e-10 -1.323025382716464e-09 ] [ 1.305523846181493e-09 6.503994335545461e-10 -1.729166261288243e-09 ] [ 4.721249205228059e-10 1.046519818886855e-09 3.513898411050762e-09 ] [ 1.462309165286754e-09 -1.014882758679552e-10 1.198119693358896e-09 ] [ -1.324083620374503e-10 -3.122005849385419e-09 -2.788705687831044e-09 ] [ -2.904234157862393e-09 1.302708020770437e-09 1.300608528526541e-10 ] [ -4.456486634722941e-09 -1.335532133636091e-09 4.210397753168572e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.726441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724006851459058e-18 } }