{ "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" [ [ -1.3993273 -4.9091866 -0.2181972 ] [ 5.9259345 -2.9874695 -0.4385467 ] [ 1.8598285 1.9990724 -0.5951797 ] [ 4.7271583 -3.8801804 8.6147219 ] [ -1.4052738 -0.6915486 -2.6460633 ] [ -0.7126584 0.0502999 2.0067434 ] [ -9.0217231 5.5687123 -2.1998207 ] [ 0.0260613 4.8503004 -4.5236577 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.241969484907188e-09 -7.865383997664642e-09 -3.495904525640218e-10 ] [ 9.494393712292137e-09 -4.786453788253066e-09 -7.026292698689914e-10 ] [ 2.979773741397533e-09 3.202867062566546e-09 -9.535830005147579e-10 ] [ 7.573742511080673e-09 -6.216734321366393e-09 1.380230602287375e-08 ] [ -2.251496828182775e-09 -1.107982999066971e-09 -4.239460756416896e-09 ] [ -1.141804627096735e-09 8.058932380857792e-11 3.215157359424703e-09 ] [ -1.44543938301513e-08 8.922060655021396e-09 -3.524501295491891e-09 ] [ 4.175480556765504e-11 7.771037904736889e-09 -7.2476986074419e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -222.42393 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.563624205524558e-17 } }