{ "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" [ [ 1.803787156749016e-09 4.35980601024102e-09 3.833383003603978e-09 ] [ -8.869499969234755e-09 -5.577695441576952e-09 7.401522783716599e-09 ] [ 1.563395695367043e-08 9.530723868257088e-11 -8.190552952650796e-09 ] [ 5.796034463841405e-09 6.317090819669414e-10 -3.875645538942765e-09 ] [ -3.371088077520428e-09 -1.122892774591305e-08 -6.495538527993863e-09 ] [ -5.482151240972166e-09 1.199543227286477e-10 1.370414178284098e-08 ] [ -1.303130835180666e-09 -2.951102310115331e-09 -1.412821982977092e-08 ] [ -4.207908451352833e-09 1.455094900420381e-08 7.750909279196792e-09 ] ] "source-value" [ [ 1.1258354 2.7211769 2.3926095 ] [ -5.5359065 -3.4813237 4.6196672 ] [ 9.7579485 0.0594861 -5.1121411 ] [ 3.6176002 0.3942818 -2.4189877 ] [ -2.1040677 -7.0085455 -4.0541963 ] [ -3.4216897 0.0748696 8.5534526 ] [ -0.8133503 -1.8419332 -8.8181413 ] [ -2.6263699 9.0819881 4.8377371 ] ] } "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" -2.557201420055816e-18 "source-value" -15.960796 } }