{ "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" [ [ 2.2054965000000006 -0.31524660000000004 -2.0177446000000003 ] [ 0.5051093000000001 0.20654010000000006 -0.5871709000000002 ] [ 0.8718685000000003 0.5104170000000001 -0.9274178000000002 ] [ 0.004004300000000001 0.8697656000000002 2.5259831000000004 ] [ 1.0650544000000002 0.08191100000000001 0.6756819000000001 ] [ -0.5394146000000001 -1.9608927000000005 -1.6669171000000005 ] [ -1.6500482000000005 0.7574485000000002 -0.29187070000000004 ] [ -2.4620703000000006 -0.14994280000000001 2.2894561000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.533594958668782e-09 -5.050807364679444e-10 -3.232783251499677e-09 ] [ 8.092743180760962e-10 3.309137222040235e-10 -9.407514961447508e-10 ] [ 1.396887338620629e-09 8.177781909963782e-10 -1.485887129115685e-09 ] [ 6.4155958955262e-12 1.393518121376991e-09 4.047071100698886e-09 ] [ 1.70640527361889e-09 1.31235890267574e-10 1.082561752196724e-09 ] [ -8.642374681584565e-10 -3.141696465721172e-09 -2.670695628435042e-09 ] [ -2.643668671013759e-09 1.213566288158349e-09 -4.676284156892238e-10 ] [ -3.94467150592537e-09 -2.402348505965352e-10 3.668113067988768e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.467000292303474 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.522222251239979e-18 } }