{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8116912 -5.6747706 1.664665 ] [ 3.5915058 0.800143 -1.5317284 ] [ 5.9152316 -4.5429252 1.5576184 ] [ -21.8545582 19.5336158 -6.3852179 ] [ -6.0977601 0.7749706 -12.3389015 ] [ 17.9213892 -13.4726635 -1.2718761 ] [ 2.6828763 -8.2714208 26.3831176 ] [ -1.3469933 10.8530507 -8.0776771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.300472663949097e-09 -9.09198478372319e-09 2.667087344464032e-09 ] [ 5.754226626227601e-09 1.281970407896774e-09 -2.454099431895391e-09 ] [ 9.477245776137378e-09 -7.278568545483165e-09 2.495579784607903e-09 ] [ -3.501486220595293e-08 3.129630255444948e-08 -1.023024683809367e-08 ] [ -9.76968867146707e-09 1.241639777127348e-09 -1.976909950965405e-08 ] [ 2.871323078849761e-08 -2.15855864796055e-08 -2.037770151974283e-09 ] [ 4.298441684358408e-09 -1.325227702655883e-08 4.2270414202537e-08 ] [ -2.158121173634241e-09 1.738850409589708e-08 -1.294186539999154e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.824717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.375181498737632e-18 } }