{ "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" [ [ -1.259657695187203e-09 1.877749237183317e-09 1.709695169033322e-09 ] [ 1.698138348632168e-09 -1.70236424968719e-09 -7.014084112839418e-10 ] [ 1.430249130451559e-09 4.571867864722838e-09 -2.944171133836088e-09 ] [ 1.108945266345423e-09 -9.950518175556e-10 -1.309198758696622e-09 ] [ 3.581207613284852e-10 2.083914761265268e-09 5.625187641623693e-10 ] [ -2.586131442644615e-09 -5.076541483950182e-09 1.594156925724586e-09 ] [ -3.381999701396387e-09 -1.986567631309094e-09 -5.130100646206906e-10 ] [ 2.632335332470569e-09 1.226993319330643e-09 1.601417669734727e-09 ] ] "source-value" [ [ -0.7862165 1.1719989 1.0671078 ] [ 1.0598946 -1.0625322 -0.4377847 ] [ 0.8926913 2.8535355 -1.8376071 ] [ 0.6921492 -0.6210625 -0.8171376 ] [ 0.2235214 1.3006773 0.3510966 ] [ -1.6141363 -3.168528 0.9949945 ] [ -2.1108782 -1.239918 -0.3201957 ] [ 1.6429745 0.765829 0.9995263 ] ] } "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" -4.305996587996128e-18 "source-value" -26.875917 } }