{ "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" [ [ -0.1976074 0.5698501 0.0978595 ] [ -0.6778447 0.3881153 -2.0988149 ] [ -0.9677158 0.7759022 -0.5961313 ] [ 2.0717307 0.1137337 0.1604748 ] [ 0.0215815 -2.6256043 2.2767677 ] [ -0.8495284 0.4815536 1.8743928 ] [ 0.2848933 0.0334052 -1.8889412 ] [ 0.3144907 0.2630441 0.1743927 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.166019563770739e-10 9.130005075805421e-10 1.567882030231776e-10 ] [ -1.08602693087319e-09 6.218292598347782e-10 -3.36267216416669e-09 ] [ -1.550451630338769e-09 1.243132364867286e-09 -9.551076317871111e-10 ] [ 3.319278492133618e-09 1.82221475137081e-10 2.571089727875559e-10 ] [ 3.45773747417952e-11 -4.206681824931949e-09 3.647783979932588e-09 ] [ -1.361094541185631e-09 7.715339195820749e-10 3.00310832235585e-09 ] [ 4.564493846825607e-10 5.352103045314817e-11 -3.026417428705897e-09 ] [ 5.038696469990266e-10 4.214431072593773e-10 2.794079067781881e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -216.4717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.468258968048314e-17 } }