{ "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" [ [ -1.963101191214885e-09 2.956680928891295e-09 2.499553022409825e-09 ] [ 2.401701847688748e-09 -2.507124108031415e-09 -1.050132406731435e-09 ] [ 3.10080024072082e-09 6.812445378581875e-09 -4.940029947586863e-09 ] [ 1.844910704728076e-09 -1.538554507623356e-09 -1.912838026702472e-09 ] [ 2.062805603633242e-10 2.907453891999552e-09 5.445325691996063e-10 ] [ -4.552834967773707e-09 -7.824441655861394e-09 3.245217397184152e-09 ] [ -5.142941290734307e-09 -3.021838247705989e-09 -1.22171895389497e-09 ] [ 4.105184096221932e-09 2.215378319749432e-09 2.835416346122156e-09 ] ] "source-value" [ [ -1.2252714 1.8454151 1.5600983 ] [ 1.4990244 -1.5648238 -0.6554411 ] [ 1.9353673 4.251994 -3.0833242 ] [ 1.1515027 -0.9602902 -1.1938996 ] [ 0.1287502 1.81469 0.3398705 ] [ -2.8416561 -4.8836324 2.0255054 ] [ -3.2099715 -1.8860831 -0.762537 ] [ 2.5622544 1.3827304 1.7697277 ] ] } "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" -5.687867835164968e-18 "source-value" -35.500879 } }