{ "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" [ [ -7.527854089831354e-10 1.529743817950253e-10 -2.767826282326439e-09 ] [ 8.93117015063428e-10 -9.49994605537152e-12 -4.732445215454209e-11 ] [ 1.469233612424189e-09 4.901549189943813e-09 -6.926615363056449e-09 ] [ -9.177085035807629e-10 -5.634052484866579e-10 5.983721604302683e-09 ] [ 1.380810606245871e-09 1.932500579063578e-10 -4.438403668292281e-09 ] [ -3.105648266957699e-09 -4.254420760178293e-09 8.357632897415343e-09 ] [ -8.081471801559206e-10 -3.684878053710337e-11 -2.095071037511222e-09 ] [ 1.841127965726367e-09 -3.835987341701088e-10 1.933886301622908e-09 ] ] "source-value" [ [ -0.4698517 0.0954791 -1.7275413 ] [ 0.5574398 -0.0059294 -0.0295376 ] [ 0.9170235 3.0593064 -4.3232533 ] [ -0.5727886 -0.3516499 3.7347453 ] [ 0.8618342 0.1206172 -2.7702337 ] [ -1.9383932 -2.6554006 5.2164242 ] [ -0.5044058 -0.0229992 -1.3076405 ] [ 1.1491417 -0.2394235 1.2070369 ] ] } "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" -5.683180347025495e-18 "source-value" -35.471622 } }