{ "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" [ [ 3.862423600000001 2.3666840000000002 -3.563399000000001 ] [ 0.33471200000000007 0.8197096000000003 -1.2746072000000002 ] [ 0.6391656000000001 0.4548641000000001 -1.7207983000000004 ] [ 0.5625783000000001 0.7829099000000003 2.8957302000000005 ] [ 1.4874448000000002 -0.15387190000000003 1.0157089000000001 ] [ 0.3958176000000001 -2.9968460000000006 -2.6572460000000007 ] [ -2.8592840000000006 1.6311551000000004 0.7867001000000002 ] [ -4.422857800000001 -2.9046048000000004 4.517911400000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.188284791546173e-09 3.791845773621428e-09 -5.709194568382101e-09 ] [ 5.362677411012097e-10 1.31331955696532e-09 -2.04214585654335e-09 ] [ 1.024056181139605e-09 7.287726266612335e-10 -2.757022805372386e-09 ] [ 9.013497996294087e-10 1.254359937972866e-09 4.639471226584509e-09 ] [ 2.383149283290532e-09 -2.465299607780756e-10 1.627345053118485e-09 ] [ 6.341697048211663e-10 -4.801476597337998e-09 -4.257377416914318e-09 ] [ -4.581077977027508e-09 2.613398566118687e-09 1.260432507801022e-09 ] [ -7.086199364282924e-09 -4.65368990322346e-09 7.238492019925799e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.226728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.643944002888075e-18 } }