{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.928444 0.138001 0.968182 ] [ 0.928444 0.861999 0.968182 ] [ 0.428444 0.638001 0.968182 ] [ 0.428444 0.361999 0.968182 ] [ 0.485015 0.819201 0.483988 ] [ 0.485015 0.180799 0.483988 ] [ 0.38434 0 0.597694 ] [ 0.577755 0 0.346462 ] [ 0.985015 0.319201 0.483988 ] [ 0.985015 0.680799 0.483988 ] [ 0.88434 0.5 0.597694 ] [ 0.077755 0.5 0.346462 ] [ 0.595387 0.24663 0.580969 ] [ 0.595387 0.75337 0.580969 ] [ 0.396251 0 0.307072 ] [ 0.836963 0 0.398493 ] [ 0.095387 0.74663 0.580969 ] [ 0.095387 0.25337 0.580969 ] [ 0.896251 0.5 0.307072 ] [ 0.336963 0.5 0.398493 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.07395842499 "source-unit" "angstrom" } "b" { "source-value" 11.3589731733 "source-unit" "angstrom" } "c" { "source-value" 3.27170059823 "source-unit" "angstrom" } "beta" { "source-value" 110.014235169 "source-unit" "degree" } }