{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5489443 -3.677945 4.8567666 ] [ -2.6407957 1.7620199 -0.9965897 ] [ 0.6201344 0.367401 1.6487575 ] [ -2.9707247 1.0672559 -4.3417877 ] [ 0.6649133 0.4702197 2.6092664 ] [ -3.8796998 3.7157913 -4.6976917 ] [ 2.3175701 -2.5760073 1.1901726 ] [ 2.3396583 -1.1287355 -0.2688941 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.686035585981422e-09 -5.892717491588256e-09 7.781397899202305e-09 ] [ -4.231021130849171e-09 2.823067089164354e-09 -1.596712717870086e-09 ] [ 9.935648374338356e-10 5.886412926585407e-10 2.641600719868656e-09 ] [ -4.759625661173093e-09 1.709932451390863e-09 -6.956310745417004e-09 ] [ 1.065308544118977e-09 7.533750099795898e-10 4.180505623518981e-09 ] [ -6.215964315282436e-09 5.953353948632039e-09 -7.526531813466207e-09 ] [ 3.713156631285119e-09 -4.127218671070132e-09 1.90686671443675e-09 ] [ 3.748545828920673e-09 -1.808433629166998e-09 -4.308158404910573e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.002302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.607986993858108e-18 } }