{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.50751e-10 0.0 0.0 ] "source-value" [ 5.50751 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.52432e-12 5.46365e-10 0.0 ] "source-value" [ 0.0552432 5.46365 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.115100000000001e-12 -1.73599e-11 5.4807e-10 ] "source-value" [ -0.041151 -0.173599 5.4807 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.159757544851084e-08 7.370109227147897e-09 7.917441920427676e-09 ] [ -4.10269671701814e-09 -1.503056201759925e-09 2.404026926400852e-09 ] [ -5.751096293545881e-10 1.908499332413345e-09 -2.25789896574183e-09 ] [ 1.240231303660003e-08 -8.33238756061906e-09 -6.895618212191493e-09 ] [ -4.454531338374916e-09 -3.039714212917241e-09 4.811217991410123e-09 ] [ 2.359093883070517e-09 -4.641443185569389e-10 5.358581766916345e-09 ] [ -1.985317933544871e-10 2.456334468281407e-09 -1.075617621411385e-08 ] [ 6.167038006942418e-09 1.604359105792854e-09 -5.815750528901645e-10 ] ] "source-value" [ [ -7.2386373 4.6000604 4.9416786 ] [ -2.5607019 -0.9381339 1.5004756 ] [ -0.3589552 1.1911916 -1.4092697 ] [ 7.740915 -5.2006673 -4.3039064 ] [ -2.7802998 -1.8972404 3.0029261 ] [ 1.4724306 -0.2896961 3.3445637 ] [ -0.1239138 1.5331234 -6.7134772 ] [ 3.8491624 1.0013622 -0.3629906 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.03681e-12 -1.04771e-12 -4.3973e-12 ] [ 1.36957e-10 1.30557e-10 1.36025e-10 ] [ 1.38031e-12 2.57027e-10 2.84477e-10 ] [ 1.29725e-10 4.08516e-10 4.13225e-10 ] [ 2.77149e-10 -7.01058e-13 2.61036e-10 ] [ 3.98017e-10 1.30013e-10 4.07827e-10 ] [ 2.6961e-10 2.74296e-10 2.49943e-11 ] [ 4.170550000000001e-10 4.00651e-10 1.44609e-10 ] ] "source-value" [ [ 0.0203681 -0.0104771 -0.043973 ] [ 1.36957 1.30557 1.36025 ] [ 0.0138031 2.57027 2.84477 ] [ 1.29725 4.08516 4.13225 ] [ 2.77149 -0.00701058 2.61036 ] [ 3.98017 1.30013 4.07827 ] [ 2.6961 2.74296 0.249943 ] [ 4.17055 4.00651 1.44609 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.556488390953396e-18 "source-value" -34.680873 } }