{ "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" [ [ 1.9136199 9.5068098 0.3772366 ] [ -1.3544825 -1.555423 -6.4144548 ] [ 0.1066352 0.9738136 5.35446 ] [ -0.1611213 -5.2652698 -2.0609141 ] [ 2.5177869 1.0999277 0.6917344 ] [ 4.3157922 -3.9209093 -2.6802566 ] [ -0.0971153 4.6334189 5.427796 ] [ -7.2411151 -5.4723677 -0.6956015 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.065957064877634e-09 1.523158839995232e-08 6.043996610300812e-10 ] [ -2.170120194782736e-09 -2.492062366054598e-09 -1.027708951573834e-08 ] [ 1.708484243943322e-10 1.560221382937083e-09 8.578790629008769e-09 ] [ -2.581447799729031e-10 -8.435892175764292e-09 -3.301948388497073e-09 ] [ 4.033939307336508e-09 1.762278445510316e-09 1.108280683483115e-09 ] [ 6.914661363070997e-09 -6.281989212737294e-09 -4.294244462264898e-09 ] [ -1.555958631819782e-10 7.423555435952852e-09 8.696287853671756e-09 ] [ -1.160154532174185e-08 -8.767699589361069e-09 -1.114476460693411e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.81868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.694649588871655e-18 } }