{ "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" [ [ 1.7368211 1.5874611 -2.3245237 ] [ -0.7308304 2.5680743 -0.9641966 ] [ 0.4099798 -0.1893224 -2.35837 ] [ -0.2536165 -0.829928 3.6279681 ] [ 0.7084229 0.4565975 -0.4793522 ] [ -0.9489642 0.2770425 2.2003301 ] [ 0.0285313 -0.5861388 -1.1173183 ] [ -0.950344 -3.2837862 1.4154627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.782694160932139e-09 2.543393060849451e-09 -3.724297526635513e-09 ] [ -1.170919380649912e-09 4.114508603937326e-09 -1.544813250374849e-09 ] [ 6.568600505602599e-10 -3.033279230737459e-10 -3.778525277196096e-09 ] [ -4.063384269491232e-10 -1.329691238547302e-09 5.812645670828196e-09 ] [ 1.135018608019336e-09 7.31549839615728e-10 -7.680068879690457e-10 ] [ -1.520408255216175e-09 4.438710164679841e-10 3.525317444262526e-09 ] [ 4.571218182103104e-11 -9.39097881903767e-10 -1.790141258252001e-09 ] [ -1.522618938517555e-09 -5.261205477345674e-09 2.267821245554444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.677592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.876398040964112e-18 } }