{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5165398 1.2591243 -2.8298243 ] [ -0.7734937 0.4992992 0.4490672 ] [ -0.5978367 -0.8375983 -1.6453771 ] [ -1.7841226 -1.3046511 4.2011193 ] [ 4.0785875 2.0167439 -2.4000165 ] [ -0.1470987 -1.9702955 -0.3806876 ] [ -0.385007 1.1061359 0.1643353 ] [ -1.9075686 -0.7687584 2.4413838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.429764612072708e-09 2.017339516141166e-09 -4.533878334431725e-09 ] [ -1.239273522476089e-09 7.999655050241435e-10 7.194849690081178e-10 ] [ -9.578399837962234e-10 -1.341980413881825e-09 -2.636184722019704e-09 ] [ -2.85847951836091e-09 -2.090281490721003e-09 6.730935123651661e-09 ] [ 6.53461753838712e-09 3.231179926721013e-09 -3.845250325834244e-09 ] [ -2.35678098090073e-10 -3.156761386167446e-09 -6.099287725484621e-10 ] [ -6.168492142443456e-10 1.772225078407567e-09 2.632941756321542e-10 ] [ -3.056261813492187e-09 -1.231686735523615e-09 3.911528046759863e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.75696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.728896534288077e-18 } }