{ "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" [ 5.4 0 0 ] "si-unit" "m" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.386566 5.8038 0 ] "si-unit" "m" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.433064 -0.220286 5.20849 ] "si-unit" "m" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.17461800000000002 -1.5783187000000005 3.430378400000001 ] [ -1.0658630000000002 -1.7368737000000005 -3.9735427000000008 ] [ -2.0709281000000006 -1.4767803000000002 3.423818900000001 ] [ 2.6865005000000006 2.1767658000000005 2.4811975000000004 ] [ 1.7444060000000003 -3.8381022000000007 2.2916896000000007 ] [ 0.28466820000000004 0.9610213000000002 -3.074783600000001 ] [ -1.5491346000000004 0.22843920000000006 -2.7579275000000005 ] [ -0.20426710000000006 5.263848600000001 -1.8208307000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.79768879475812e-10 -2.528745342145256e-09 5.496072118258306e-09 ] [ -1.707700793645142e-09 -2.782778458349127e-09 -6.366317268141272e-09 ] [ -3.317992612514016e-09 -2.36606289021151e-09 5.485562640627584e-09 ] [ 4.304248328329318e-09 3.487563302450318e-09 3.975316658839215e-09 ] [ 2.794846533409404e-09 -6.149317663743996e-09 3.671691529500807e-09 ] [ 4.560887384828388e-10 1.539725871636304e-09 -4.926346438526403e-09 ] [ -2.481987259040936e-09 3.659999485296529e-10 -4.418686998766035e-09 ] [ -3.272719747149415e-10 8.433615231833613e-09 -2.917292402009864e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.962963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.480160593600654e-18 } }