{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.8172334 13.2023136 -5.9706303 ] [ 1.331323 -1.261716 -0.0798203 ] [ 42.6401855 35.7297321 -15.8534011 ] [ -1.5541892 -0.3452464 -2.0675842 ] [ -1.5376042 -0.3995301 -3.4646669 ] [ -37.1830095 -38.2494771 15.7032784 ] [ -1.150403 2.5876527 5.3473575 ] [ -11.3635359 -11.2637288 6.3854668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.412676521361689e-08 2.115243819038989e-08 -9.56600427810009e-09 ] [ 2.133014585333319e-09 -2.021491877289293e-09 -1.278862185252422e-10 ] [ 6.831710831467516e-08 5.724534143806729e-08 -2.5399948602585e-08 ] [ -2.490085600539855e-09 -5.531457104953652e-10 -3.312635066775472e-09 ] [ -2.463513501283888e-09 -6.401177855258861e-10 -5.551008306039611e-09 ] [ -5.957374851188429e-08 -6.128241796744499e-08 2.515942552239363e-08 ] [ -1.843148791098183e-09 4.145876658689996e-09 8.567411169559537e-09 ] [ -1.820639154860149e-08 -1.804648294639164e-08 1.023064561985459e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.088523 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.577665541380308e-18 } }