{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44188e-10 0.0 0.0 ] "source-value" [ 5.44188 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] "source-value" [ -0.0681259 5.43851 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] "source-value" [ -0.00252152 -0.017859 5.5414 ] } "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" [ [ -5.666659983453101e-10 -9.554131668686976e-11 -3.423083675612912e-09 ] [ 8.98672882931376e-10 5.565625123568833e-11 2.679896746547328e-10 ] [ 6.313924918666714e-10 4.525530032931385e-09 -6.668887629657939e-09 ] [ -9.244084857736244e-10 -5.147771052157709e-10 6.673799582741989e-09 ] [ 1.507846709856117e-09 1.16532393901943e-10 -4.554232866875355e-09 ] [ -2.536627068979812e-09 -3.74070189262056e-09 8.603982453105918e-09 ] [ -8.610087547119475e-10 -8.384927257891969e-11 -2.94614165086201e-09 ] [ 1.85079822315653e-09 -2.628492511845581e-10 2.046574112505579e-09 ] ] "source-value" [ [ -0.3536851 -0.0596322 -2.1365208 ] [ 0.5609075 0.0347379 0.167266 ] [ 0.3940842 2.8246137 -4.1623923 ] [ -0.5769704 -0.3212986 4.1654581 ] [ 0.9411239 0.0727338 -2.8425286 ] [ -1.5832381 -2.3347625 5.3701835 ] [ -0.5373994 -0.0523346 -1.838837 ] [ 1.1551774 -0.1640576 1.2773711 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.661553205691963e-18 "source-value" -35.336636 } }