{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] "source-value" [ 5.4484 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] "source-value" [ 0.00476084 5.4399 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] "source-value" [ -0.0697031 -0.0639637 5.39979 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.597045329736564e-09 2.034605692930541e-09 2.115547495595695e-09 ] [ 1.821975225966e-09 -1.624316298434525e-09 -9.066046185103086e-10 ] [ 2.594210418254999e-09 5.5302130148076e-09 -3.985667968799073e-09 ] [ 1.382944545287115e-09 -1.208030117064516e-09 -1.700292635316495e-09 ] [ 3.949173109077504e-10 2.024534410692192e-09 6.37852628219399e-10 ] [ -3.825998411341048e-09 -6.021343595276984e-09 2.721593072668324e-09 ] [ -4.153790930543762e-09 -2.885311971317758e-09 -1.233418368015375e-09 ] [ 3.38278717120551e-09 2.149648703445788e-09 2.350990554375496e-09 ] ] "source-value" [ [ -0.9967973 1.269901 1.3204209 ] [ 1.1371875 -1.0138185 -0.5658581 ] [ 1.6191788 3.4516875 -2.4876583 ] [ 0.8631661 -0.7539931 -1.0612392 ] [ 0.246488 1.263615 0.3981163 ] [ -2.3880004 -3.7582271 1.6986848 ] [ -2.5925924 -1.8008701 -0.7698392 ] [ 2.1113697 1.3417052 1.4673729 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.734482523076497e-18 "source-value" -35.791825 } }