{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.353698 0.645615 0.646751 ] [ 0.646302 0.354385 0.353249 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.352989 0.853834 0.270476 ] [ 0.230991 0.558248 0.311556 ] [ 0.533857 0.389844 0.994041 ] [ 0.647011 0.146166 0.729524 ] [ 0.769009 0.441752 0.688444 ] [ 0.466143 0.610156 0.005959 ] ] } "species" { "source-value" [ "Ba" "Ba" "Bi" "Sb" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65197288669 "source-unit" "angstrom" } "b" { "source-value" 5.69868506717 "source-unit" "angstrom" } "c" { "source-value" 7.478592605 "source-unit" "angstrom" } "alpha" { "source-value" 111.075785888 "source-unit" "degree" } "beta" { "source-value" 92.1762032549 "source-unit" "degree" } "gamma" { "source-value" 111.949891615 "source-unit" "degree" } }