{ "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" [ [ 1.9246596000000005 0.052671900000000015 -1.6962549000000005 ] [ 0.4181390000000001 0.13557270000000002 -0.5454793000000001 ] [ 0.8899173000000002 0.5117411000000001 -0.8667954000000002 ] [ 0.09608600000000003 0.6041074000000001 2.0526214000000005 ] [ 0.7286501000000001 0.04672930000000001 0.5548098000000001 ] [ -0.32727610000000007 -1.6982299000000005 -1.3609724000000003 ] [ -1.3719129000000003 0.6917444000000001 -0.22325270000000005 ] [ -2.3582630000000004 -0.34433690000000006 2.0853234000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.083644614118281e-09 8.438968675311554e-11 -2.717699943697443e-09 ] [ 6.699325300446913e-10 2.172114103587322e-10 -8.739541815903496e-10 ] [ 1.42580469250546e-09 8.19899626322475e-10 -1.388759324896985e-09 ] [ 1.539467427861888e-10 9.678867527322742e-10 3.288662018433766e-09 ] [ 1.167426154963582e-09 7.486859196634945e-11 8.88903290550724e-10 ] [ -5.24354115966603e-10 -2.720864242523523e-09 -2.180518160834066e-09 ] [ -2.198046774153929e-09 1.108296705249324e-09 -3.576902564704762e-10 ] [ -3.778353844297671e-09 -5.516885308587476e-10 3.341056398287168e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.607548 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.46191082384138e-18 } }