{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8321724 0.2951229 0.6077532 ] [ -0.3395236 0.1999005 -0.5268891 ] [ -0.7269305 -0.3861154 -1.7292042 ] [ -0.2108147 2.2201745 -1.6432998 ] [ -0.6446802 -1.1344579 -0.2916193 ] [ 0.3391527 0.1892435 0.5189265 ] [ -0.0794815 -2.0389991 1.1434658 ] [ 0.8301053 0.6551309 1.9208668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.333287163755026e-09 4.728390106426964e-10 9.737279682563866e-10 ] [ -5.439767741298509e-10 3.202759075862304e-10 -8.441693977743532e-10 ] [ -1.164671052046455e-09 -6.186250668108403e-10 -2.770490541829168e-09 ] [ -3.377623836609658e-10 3.55711167799633e-09 -2.632856520525316e-09 ] [ -1.032891544332668e-09 -1.817601924661864e-09 -4.672256246340615e-10 ] [ 5.433825268211962e-10 3.032015113383648e-10 8.314119062135711e-10 ] [ -1.273434010861152e-10 -3.266836687852241e-09 1.832034171444369e-09 ] [ 1.329975304462171e-09 1.049635411543663e-09 3.077567878630909e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.081496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.780892933468872e-18 } }