{ "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" [ [ -1.063790962423755e-09 -2.707774619749248e-10 -7.02865959421182e-09 ] [ 2.262545117724488e-09 8.250759385489557e-10 1.929775757284583e-09 ] [ 6.36017286834974e-09 1.124536431564817e-08 -1.748998243826998e-08 ] [ -2.358889285116041e-09 -1.990012951914463e-09 1.330849788483569e-08 ] [ 3.456941512834306e-09 1.900676705062289e-09 -1.043313911533933e-08 ] [ -9.625292183082145e-09 -9.950961818262299e-09 1.94315753696566e-08 ] [ -2.428084249232813e-09 -1.916601699802393e-09 -6.286360591429485e-09 ] [ 3.396397180946219e-09 1.572369726946637e-10 6.568292727473744e-09 ] ] "source-value" [ [ -0.6639661 -0.169006 -4.3869443 ] [ 1.4121696 0.5149719 1.2044713 ] [ 3.9697077 7.0188044 -10.9163885 ] [ -1.4723029 -1.2420684 8.3065111 ] [ 2.1576532 1.1863091 -6.5118533 ] [ -6.0076349 -6.2109019 12.1282355 ] [ -1.515491 -1.1962487 -3.9236377 ] [ 2.1198644 0.0981396 4.0996059 ] ] } "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" -5.388851048942471e-18 "source-value" -33.634563 } }