{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.362255 0 0.22033 ] [ 0.637745 0 0.77967 ] [ 0.862255 0.5 0.22033 ] [ 0.137745 0.5 0.77967 ] [ 0.038334 0.263269 0.813304 ] [ 0.223364 0 0.089541 ] [ 0.317924 0 0.402576 ] [ 0.682076 0 0.597424 ] [ 0.776636 0 0.910459 ] [ 0.038334 0.736731 0.813304 ] [ 0.961666 0.263269 0.186696 ] [ 0.961666 0.736731 0.186696 ] [ 0.538334 0.763269 0.813304 ] [ 0.723364 0.5 0.089541 ] [ 0.817924 0.5 0.402576 ] [ 0.182076 0.5 0.597424 ] [ 0.276636 0.5 0.910459 ] [ 0.538334 0.236731 0.813304 ] [ 0.461666 0.763269 0.186696 ] [ 0.461666 0.236731 0.186696 ] ] } "species" { "source-value" [ "Ba" "Ba" "Hf" "Hf" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.68649102733 "source-unit" "angstrom" } "b" { "source-value" 5.34664177713 "source-unit" "angstrom" } "c" { "source-value" 7.95615905197 "source-unit" "angstrom" } "beta" { "source-value" 93.5947000095 "source-unit" "degree" } }