{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7750335 1.0930025 1.0014467 ] [ 1.0097717 -0.9594453 -0.4627078 ] [ 0.8771362 2.657352 -1.7363507 ] [ 0.6606622 -0.5782202 -0.7648011 ] [ 0.1931891 1.2305812 0.3263351 ] [ -1.5794384 -3.0027005 0.9352211 ] [ -1.985482 -1.18333 -0.2978676 ] [ 1.5991947 0.7427603 0.9987244 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.241740554036797e-09 1.751183051975952e-09 1.604494489717311e-09 ] [ 1.617832610085471e-09 -1.537200828596442e-09 -7.413396194218023e-10 ] [ 1.405327112897353e-09 4.257547247636122e-09 -2.781940497049715e-09 ] [ 1.058497531086294e-09 -9.264108861143002e-10 -1.225346441982123e-09 ] [ 3.095230594133933e-10 1.971608428636009e-09 5.228464677664301e-10 ] [ -2.530539278473759e-09 -4.810856540364471e-09 1.498389381698859e-09 ] [ -3.181092841419226e-09 -1.895903660691264e-09 -4.772365048138061e-10 ] [ 2.56219236044727e-09 1.190033187518394e-09 1.600132884302508e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.964941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.679389156825137e-18 } }