{ "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" [ [ -1.8243646 -6.5570373 0.0756208 ] [ 6.9161185 -4.621406 -0.6446497 ] [ 5.0721751 0.4468326 1.1286547 ] [ -15.1254944 11.2185979 -1.5609486 ] [ -2.7939094 -2.5539011 -4.7876976 ] [ 6.3062128 -8.0975204 -2.8669759 ] [ 3.9729124 0.9599049 16.6905837 ] [ -2.5236504 9.2045295 -8.0345873 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.922954334016756e-09 -1.050553195032645e-08 1.211578788043872e-10 ] [ 1.108084345867513e-08 -7.404308709427404e-09 -1.03284268645511e-09 ] [ 8.126520428776613e-09 7.159047510294684e-10 1.80830418819428e-09 ] [ -2.423371370537785e-08 1.797417542162147e-08 -2.500915373795012e-09 ] [ -4.47633635819296e-09 -4.091800667966897e-09 -7.670737225377878e-09 ] [ 1.010366679719171e-08 -1.297365797821833e-08 -4.593401797221121e-09 ] [ 6.365307416208861e-09 1.537937201642106e-09 2.674126321196127e-08 ] [ -4.043333703264754e-09 1.47472820918637e-08 -1.287282803589315e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -329.36225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.276965010716665e-17 } }