{ "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" [ [ 3.122448100000001 0.13565840000000004 -2.6350630000000006 ] [ 0.4047261000000001 0.45145590000000013 -0.8043586000000003 ] [ 1.1121739000000002 0.5041012000000001 -1.2011900000000002 ] [ 0.019362100000000004 0.9924722000000002 3.0224002000000008 ] [ 1.5949082000000006 0.031375200000000006 0.6711524000000001 ] [ -0.6129007000000001 -2.4811291000000004 -2.0039167000000004 ] [ -2.2742441000000007 1.0755155000000003 -0.07001230000000001 ] [ -3.3664737000000007 -0.7094492000000001 3.0209881000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.002713345481383e-09 2.173487168951348e-10 -4.221836332935111e-09 ] [ 6.484426952475631e-10 7.233120883022229e-10 -1.288724543659419e-09 ] [ 1.781899020843957e-09 8.076591571572252e-10 -1.924518535138752e-09 ] [ 3.102150394959169e-11 1.590115755633942e-09 4.842418939141245e-09 ] [ 2.555324630362211e-09 5.026861191292417e-11 1.07530468427381e-09 ] [ -9.819751724119546e-10 -3.975207037206547e-09 -3.210628486770688e-09 ] [ -3.643740727012338e-09 1.723165789408023e-09 -1.121720702284359e-10 ] [ -5.393685456678075e-09 -1.136662921885264e-09 4.840156505535013e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.567545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.698548905825194e-18 } }