{ "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" [ [ 4.492402900000001 -0.30960290000000007 -3.474298300000001 ] [ 0.5605414000000001 1.0477292000000002 -0.09642900000000003 ] [ -0.21578210000000006 -0.6345709000000002 0.2560506000000001 ] [ 0.32443820000000007 1.9280054000000004 1.9648774000000004 ] [ 3.068039700000001 -0.7503163000000003 0.6012043000000001 ] [ -2.5057939000000005 -2.6513153000000003 -1.8518016000000004 ] [ -3.878640700000001 1.7317407000000005 0.8287196000000002 ] [ -1.8452055000000005 -0.36166980000000004 1.7716769000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.197622956893839e-09 -4.960385321986387e-10 -5.566439555805922e-09 ] [ 8.980863334696476e-10 1.678647242999513e-09 -1.54496290639986e-10 ] [ -3.457210386554515e-10 -1.016694668596351e-09 4.102382884416805e-10 ] [ 5.198073032170189e-10 3.089005202105824e-09 3.148080658954672e-09 ] [ 4.915541519524371e-09 -1.202139243969335e-09 9.632354817203264e-10 ] [ -4.014724436199733e-09 -4.2478754230267e-09 -2.966913254323815e-09 ] [ -6.214267501221405e-09 2.774554485686804e-09 1.327755179257826e-09 ] [ -2.956345137028287e-09 -5.794589027834533e-10 2.838539332177555e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -328.08332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.256474293091449e-17 } }