{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8811981 -1.0287026 1.990492 ] [ 1.5881072 1.3812564 -0.7895048 ] [ -0.4028365 -0.3789785 -0.4325013 ] [ 0.2746023 -0.3349415 -0.1966305 ] [ -0.173196 0.2567637 -1.0270668 ] [ 0.1745444 0.6974858 -1.163884 ] [ -1.1288072 -1.0418207 2.1979427 ] [ 0.5487838 0.4489373 -0.5788473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.411835005745195e-09 -1.648163269055048e-09 3.189119772563928e-09 ] [ 2.544428248127165e-09 2.213016729642958e-09 -1.264926142990843e-09 ] [ -6.454152276223409e-10 -6.07190497488369e-10 -6.929434770346241e-10 ] [ 4.399613887026582e-10 -5.36635445056911e-10 -3.15036792631737e-10 ] [ -2.77490584302264e-10 4.113808005993857e-10 -1.645542428517151e-09 ] [ 2.796509592755495e-10 1.117495451306797e-09 -1.864747749486456e-09 ] [ -1.808548520130965e-09 -1.669180782357523e-09 3.521492436810871e-09 ] [ 8.792485814777292e-10 7.192768521910481e-10 -9.27415618713988e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.766853601562481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.228634922122153e-19 } }