{ "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" [ [ 2.1597933 3.4422097 -0.9221295 ] [ -0.8009274 -0.8052168 -0.6938677 ] [ 0.4903817 0.1734444 -0.8967785 ] [ -0.2996501 -0.302059 -1.6255757 ] [ 1.3833376 -0.0101314 0.5282363 ] [ 0.5187657 -3.3668289 -1.9758699 ] [ -0.5028798 1.3706153 2.8814868 ] [ -2.948821 -0.5020334 2.7044982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.460370331020481e-09 5.515027905230982e-09 -1.477414326249994e-09 ] [ -1.28322715523813e-09 -1.290099531635389e-09 -1.111698606868268e-09 ] [ 7.856780950081593e-10 2.778885626886835e-10 -1.436797546736093e-09 ] [ -4.800923846403821e-10 -4.839518679022273e-10 -2.604459381880594e-09 ] [ 2.216351161393582e-09 -1.623229221597312e-11 8.463278501178951e-10 ] [ 8.311542762129466e-10 -5.39425454981378e-09 -3.165692559522434e-09 ] [ -8.057022586325798e-10 2.195967789770778e-09 4.616650784103805e-09 ] [ -4.724532065124078e-09 -8.043461763407347e-10 4.333083787035684e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.941248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.758422726797476e-18 } }