{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4091881 2.2760547 -0.8593292 ] [ -0.3208587 -0.3793082 -0.2685109 ] [ 0.1700424 0.0168222 -0.5748666 ] [ -0.1255429 -0.0256078 -0.9486712 ] [ 0.6422401 -0.0458955 0.2305015 ] [ 0.7041064 -2.0766281 -1.2897397 ] [ -0.6902339 0.9280117 1.9089277 ] [ -1.7889416 -0.693449 1.8016884 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.257768228129572e-09 3.646641628001958e-09 -1.376797153810767e-09 ] [ -5.140723077202809e-10 -6.077187301177305e-10 -4.302018864099667e-10 ] [ 2.724379578247219e-10 2.695213555042176e-11 -9.210378265987852e-10 ] [ -2.011418992874323e-10 -4.102821847012224e-11 -1.519938817466281e-09 ] [ 1.028982073160254e-09 -7.35326970999264e-11 3.693041143593312e-10 ] [ 1.128102812635653e-09 -3.327124991916325e-09 -2.066390794257606e-09 ] [ -1.105876617463605e-09 1.486838649568863e-09 3.058439331737516e-09 ] [ -2.866200407496545e-09 -1.111027775517139e-09 2.886623032446559e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.338506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.822070474800053e-18 } }