{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] "source-value" [ 5.37283 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] "source-value" [ -0.256601 5.36059 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] "source-value" [ 0.0433697 -0.246629 5.47376 ] } "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" [ [ 4.015675134730036e-09 5.403426690532537e-09 -6.995310448067532e-09 ] [ 5.376829437103623e-10 9.227433436116269e-10 1.025582094153254e-09 ] [ 1.289479168847816e-09 3.247367357991604e-09 -2.663998027503806e-09 ] [ -1.846473628021667e-09 -2.838083809978126e-09 2.012243312745725e-09 ] [ 2.166155448516905e-09 1.573103043185977e-09 1.24453923615801e-09 ] [ -6.538168762867124e-10 -4.504303756188378e-09 -5.549906168742162e-10 ] [ -1.735245560258206e-09 1.853808552809351e-09 1.017373822889572e-09 ] [ -3.773456310803209e-09 -5.658061421964592e-09 4.91456046628133e-09 ] ] "source-value" [ [ 2.5063873 3.3725537 -4.3661294 ] [ 0.3355953 0.5759311 0.640118 ] [ 0.8048296 2.0268473 -1.6627368 ] [ -1.1524782 -1.7713926 1.2559435 ] [ 1.3520079 0.9818537 0.7767803 ] [ -0.4080804 -2.8113653 -0.3463979 ] [ -1.0830551 1.1570563 0.6349948 ] [ -2.3552062 -3.5314842 3.0674274 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.727603417537429e-18 "source-value" -35.748889 } }