{ "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" [ [ 3.046552900000001 0.12744370000000002 -2.6756355000000003 ] [ 0.5176609000000001 0.3935535000000001 -0.7966056000000002 ] [ 1.0768426000000002 0.5698938000000001 -1.2576966000000003 ] [ 0.07125990000000001 0.9669458000000002 3.060097500000001 ] [ 1.4468604000000003 0.041428400000000004 0.7629013000000002 ] [ -0.5937148000000001 -2.5485032000000003 -2.0780240000000005 ] [ -2.2188281000000005 1.0675652000000002 -0.13214500000000004 ] [ -3.346633800000001 -0.6183272000000001 3.1171078000000008 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.881115830410442e-09 2.04187316608249e-10 -4.286840643882519e-09 ] [ 8.293841914822869e-10 6.30542216734013e-10 -1.276302868318357e-09 ] [ 1.725292038001486e-09 9.130705226988713e-10 -2.01505208857965e-09 ] [ 1.14170945780546e-10 1.549217954340753e-09 4.902816671868529e-09 ] [ 2.318125906441337e-09 6.637561391715072e-11 1.222302626837928e-09 ] [ -9.51235971982948e-10 -4.083152245073987e-09 -3.3293614702613e-09 ] [ -3.554954507394085e-09 1.710428004619676e-09 -2.117196295556161e-10 ] [ -5.361898432739065e-09 -9.90669383844726e-10 4.994157241673324e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.439483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.678031111583906e-18 } }