{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.052559 1.222302 -2.7044181 ] [ -0.8505723 2.6288198 -0.8346922 ] [ 0.4287872 -0.2195185 -2.5731377 ] [ -0.4335396 -0.5665469 3.8112856 ] [ 0.7656267 0.4180102 -0.41568 ] [ -1.2893723 0.5881962 2.6195722 ] [ 0.259788 -0.9009271 -1.4778624 ] [ -0.9332766 -3.1703357 1.5749326 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.288562042612628e-09 1.958343687957082e-09 -4.332955452688357e-09 ] [ -1.362767053360084e-09 4.211833623856132e-09 -1.337324328404118e-09 ] [ 6.869928271382937e-10 -3.517074085330848e-10 -4.122621065039085e-09 ] [ -6.946070113109837e-10 -9.077081977667154e-10 6.106352683511701e-09 ] [ 1.226669199000255e-09 6.697261696959323e-10 -6.65992777734144e-10 ] [ -2.065802154567124e-09 9.423942000834009e-10 4.197017335337621e-09 ] [ 4.162262599643904e-10 -1.443444336665144e-09 -2.367796586039378e-09 ] [ -1.495273949259713e-09 -5.079437738627603e-09 2.523320191055758e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.731585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724831011112798e-18 } }