{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2472657 -0.0103986 -1.6991852 ] [ 0.4189528 0.0815664 0.0961883 ] [ 0.0241619 1.8269841 -2.7376446 ] [ -0.3868087 -0.149287 2.8572113 ] [ 0.6088033 0.0210658 -1.8410489 ] [ -0.8641533 -1.4374744 3.6307594 ] [ -0.4148921 -0.1310351 -1.3781651 ] [ 0.8612018 -0.2014212 1.0718847 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.961633236657466e-10 -1.666039380905088e-11 -2.722394801849372e-09 ] [ 6.712363813786983e-10 1.306837791228211e-10 1.541106454544967e-10 ] [ 3.871163129410752e-11 2.927151211593329e-09 -4.386190174179368e-09 ] [ -6.197358558620409e-10 -2.391841411893696e-10 4.577757145545575e-09 ] [ 9.754104139258887e-10 3.375113225844864e-11 -2.949685505329558e-09 ] [ -1.384526214047169e-09 -2.303087876678507e-09 5.817117826429835e-09 ] [ -6.647304227746157e-10 -2.0994137372419e-10 -2.208063902822494e-09 ] [ 1.379797389750877e-09 -3.227123375734809e-10 1.717348606533222e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.165742 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.031996347748464e-18 } }