{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.04016 0.071833 0.998153 ] [ 0.560005 0.314999 0.739619 ] [ 0.030322 0.534773 0.480441 ] [ 0.511093 0.725073 0.227718 ] [ 0.669587 0.387703 0.922504 ] [ 0.933605 0.999779 0.804838 ] [ 0.640559 0.842338 0.39875 ] [ 0.181665 0.626529 0.668786 ] [ 0.402044 0.216722 0.54227 ] [ 0.16688 0.096567 0.220563 ] [ 0.906846 0.476608 0.301899 ] [ 0.751951 0.448835 0.130156 ] [ 0.401283 0.758242 0.064302 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Pr" "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" 4.23467237 "source-unit" "angstrom" } "b" { "source-value" 4.37619371 "source-unit" "angstrom" } "c" { "source-value" 14.70219621 "source-unit" "angstrom" } "alpha" { "source-value" 91.41960932 "source-unit" "degree" } "beta" { "source-value" 97.4133082 "source-unit" "degree" } "gamma" { "source-value" 118.70275692 "source-unit" "degree" } }