{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3196011 -0.0331532 0.3452508 ] [ -0.41103 1.1693213 -2.5659301 ] [ -1.7013256 0.6052404 0.125873 ] [ 3.2034865 0.8722146 0.1168481 ] [ 0.1716152 -3.1412231 2.2507576 ] [ -0.1363001 0.9603294 1.5707577 ] [ -0.6125624 -0.5076287 -1.6599079 ] [ 0.8057175 0.0748993 -0.1836492 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114234031201963e-09 -5.311728194470656e-11 5.531527600724967e-10 ] [ -6.58542656447424e-10 1.873459249063463e-09 -4.111073216827007e-09 ] [ -2.725824100688533e-09 9.697020188436404e-10 2.016707777899584e-10 ] [ 5.132551175348419e-09 1.397441840440424e-09 1.872112940049005e-10 ] [ 2.749578612139162e-10 -5.032794211536901e-09 3.606111205807918e-09 ] [ -2.183768336327021e-10 1.538617312946892e-09 2.51663126388158e-09 ] [ -9.814331560611378e-10 -8.13310835187097e-10 -2.659465630061224e-09 ] [ 1.290901741469424e-09 1.200019073742854e-10 -2.942384546686234e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.092466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.78265052122189e-18 } }