{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8602452 1.6622756 1.9222898 ] [ -1.1387827 0.8495506 -0.5997201 ] [ 0.2544264 -0.4393542 -0.8687617 ] [ 1.7844456 -0.9026873 -1.6640955 ] [ -0.1024364 0.8730839 0.9363472 ] [ 0.3331711 -1.543391 -1.4197355 ] [ -0.004883 1.2497956 3.436773 ] [ -0.2656957 -1.7492731 -1.7430972 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.378264758950657e-09 2.66325912558833e-09 3.079847801336533e-09 ] [ -1.824531033143432e-09 1.36113012072068e-09 -9.608575311601432e-10 ] [ 4.076360331527375e-10 -7.039230332897627e-10 -1.391909696254118e-09 ] [ 2.85899704496411e-09 -1.446264499868548e-09 -2.666174926844547e-09 ] [ -1.641212065510776e-10 1.398834624101592e-09 1.500193605151325e-09 ] [ 5.337989515440773e-10 -2.472784997325894e-09 -2.274667044560307e-09 ] [ -7.823428503822e-12 2.00239330759601e-09 5.506317396962082e-09 ] [ -4.256914422942737e-10 -2.802644487304745e-09 -2.792749604630824e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.77602329230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.571733194236838e-18 } }