{ "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" [ [ -0.8153149 1.154164 1.1460071 ] [ 0.9300137 -1.1356757 -0.3966056 ] [ 1.4386579 2.8744034 -2.0873847 ] [ 0.7861828 -0.4786465 -0.905923 ] [ 0.1521207 1.0425338 0.1449906 ] [ -1.9856035 -3.2721526 1.4351012 ] [ -2.1458391 -1.4267585 -0.5754333 ] [ 1.6397824 1.2421321 1.2392477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.30627847136989e-09 1.849174577369011e-09 1.836105782890808e-09 ] [ 1.490046207163705e-09 -1.819553055350675e-09 -6.354322199983565e-10 ] [ 2.304984052709224e-09 4.60530192622803e-09 -3.344358964955622e-09 ] [ 1.259603701835082e-09 -7.668762319277471e-10 -1.451448650844998e-09 ] [ 2.437242290797305e-10 1.670323280753783e-09 2.323005495557645e-10 ] [ -3.181287505878653e-09 -5.242566395409934e-09 2.299285591122025e-09 ] [ -3.438013238018513e-09 -2.285919112227677e-09 -9.219457800897928e-10 ] [ 2.627221024479314e-09 1.990115010565208e-09 1.985493692320172e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.973369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.763569078321148e-18 } }