{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6751445 -3.3192101 0.8463652 ] [ -1.2312329 2.0171798 3.4366413 ] [ 3.2943252 0.2224238 -1.5350734 ] [ -1.6306431 -0.4341697 -1.1997117 ] [ 1.3434567 0.7948125 -0.1083877 ] [ -4.9322336 3.4964366 -5.8562819 ] [ 3.421169 0.8495611 1.6463765 ] [ -2.9399857 -3.627034 2.7700718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.286053975161705e-09 -5.31796082174323e-09 1.356026536098716e-09 ] [ -1.972652567139784e-09 3.23187831551002e-09 5.506106344935719e-09 ] [ 5.278090816752284e-09 3.56362212269495e-10 -2.459458712691967e-09 ] [ -2.612578251688836e-09 -6.956165427997498e-10 -1.922150037440223e-09 ] [ 2.152454915797119e-09 1.2734300054196e-09 -1.736562389222842e-10 ] [ -7.902309362244219e-09 5.601908976629441e-09 -9.382797944994204e-09 ] [ 5.481316987605715e-09 1.361146932361131e-09 2.637785937334531e-09 ] [ -4.710376354026323e-09 -5.811149077646707e-09 4.438144275897373e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.653428 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148826286017611e-18 } }