{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.304325 0.836248 0.200967 ] [ 0.695675 0.336248 0.299033 ] [ 0.304325 0.663752 0.700967 ] [ 0.695675 0.163752 0.799033 ] [ 0.768899 0.849531 0.202516 ] [ 0.231101 0.349531 0.297484 ] [ 0.768899 0.650469 0.702516 ] [ 0.231101 0.150469 0.797484 ] [ 0.369313 0.895753 0.030285 ] [ 0.131024 0.648791 0.116105 ] [ 0.388374 0.287036 0.114012 ] [ 0.808916 0.513062 0.249322 ] [ 0.611626 0.787036 0.385988 ] [ 0.191084 0.013062 0.250678 ] [ 0.868976 0.148791 0.383895 ] [ 0.630687 0.395753 0.469715 ] [ 0.369313 0.604247 0.530285 ] [ 0.131024 0.851209 0.616105 ] [ 0.808916 0.986938 0.749322 ] [ 0.388374 0.212964 0.614012 ] [ 0.191084 0.486938 0.750678 ] [ 0.611626 0.712964 0.885988 ] [ 0.868976 0.351209 0.883895 ] [ 0.630687 0.104247 0.969715 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Bi" "Bi" "Bi" "Bi" "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" 6.93853995 "source-unit" "angstrom" } "b" { "source-value" 7.28867688 "source-unit" "angstrom" } "c" { "source-value" 8.36703545 "source-unit" "angstrom" } "beta" { "source-value" 126.44095386 "source-unit" "degree" } }