{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.718 ] [ 0.666667 0.333333 0.051333 ] [ 0.333333 0.666667 0.384666 ] [ 0 0 0.282 ] [ 0.666667 0.333333 0.615334 ] [ 0.333333 0.666667 0.948667 ] [ 0 0 0.871951 ] [ 0.666667 0.333333 0.205285 ] [ 0.333333 0.666667 0.538618 ] [ 0 0 0.128049 ] [ 0.666667 0.333333 0.461382 ] [ 0.333333 0.666667 0.794715 ] [ 0 0 0.403221 ] [ 0.666667 0.333333 0.736555 ] [ 0.333333 0.666667 0.069888 ] [ 0 0 0.596779 ] [ 0.666667 0.333333 0.930112 ] [ 0.333333 0.666667 0.263445 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0.813631 0.186369 0.369448 ] [ 0.480297 0.519703 0.702781 ] [ 0.146964 0.853036 0.036115 ] [ 0.372739 0.186369 0.369448 ] [ 0.039405 0.519703 0.702781 ] [ 0.706072 0.853036 0.036115 ] [ 0.813631 0.627261 0.369448 ] [ 0.480297 0.960595 0.702781 ] [ 0.146964 0.293928 0.036115 ] [ 0.186369 0.372739 0.630552 ] [ 0.853036 0.706072 0.963885 ] [ 0.519703 0.039405 0.297219 ] [ 0.186369 0.813631 0.630552 ] [ 0.853036 0.146964 0.963885 ] [ 0.519703 0.480297 0.297219 ] [ 0.627261 0.813631 0.630552 ] [ 0.293928 0.146964 0.963885 ] [ 0.960595 0.480297 0.297219 ] [ 0.858034 0.141966 0.538081 ] [ 0.5247 0.4753 0.871415 ] [ 0.191367 0.808633 0.204748 ] [ 0.283933 0.141966 0.538081 ] [ 0.950599 0.4753 0.871415 ] [ 0.617266 0.808633 0.204748 ] [ 0.716067 0.858034 0.461919 ] [ 0.382734 0.191367 0.795252 ] [ 0.049401 0.5247 0.128585 ] [ 0.141966 0.858034 0.461919 ] [ 0.808633 0.191367 0.795252 ] [ 0.4753 0.5247 0.128585 ] [ 0.141966 0.283933 0.461919 ] [ 0.808633 0.617266 0.795252 ] [ 0.4753 0.950599 0.128585 ] [ 0.858034 0.716067 0.538081 ] [ 0.5247 0.049401 0.871415 ] [ 0.191367 0.382734 0.204748 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.35921190473 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }