{ "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" [ [ 0.2486511 0.0419383 -0.2562573 ] [ -0.0977309 0.2837523 -0.1978163 ] [ -0.0028623 -0.0628914 -0.1827305 ] [ -0.0339713 -0.0889874 0.2895759 ] [ 0.1301593 0.063938 0.1550198 ] [ -0.1369219 0.1863484 0.2909903 ] [ -0.042159 -0.1464647 -0.0674052 ] [ -0.0651649 -0.2776335 -0.0313768 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.983829791562029e-10 6.719256377609664e-11 -4.105694549693319e-10 ] [ -1.565821631097427e-10 4.546213011582279e-10 -3.16936651073159e-10 ] [ -4.58591014171584e-12 -1.007631307293811e-10 -2.927665350070944e-10 ] [ -5.442802263818305e-11 -1.425735318257779e-10 4.639517369271187e-10 ] [ 2.085381874396934e-10 1.024399687807104e-10 2.483690993210919e-10 ] [ -2.193730670555155e-10 2.985630498034867e-10 4.662178555395782e-10 ] [ -6.75461641563072e-11 -2.346623181124858e-10 -1.079950355603482e-10 ] [ -1.044056792767699e-10 -4.448179028508768e-10 -5.027117539551744e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 30.485555 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.884324349311255e-18 } }