{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.346888 0.25 0.103808 ] [ 0.653112 0.75 0.896192 ] [ 0.685777 0.75 0.398061 ] [ 0.314223 0.25 0.601939 ] [ 0.022408 0.75 0.797424 ] [ 0.977592 0.25 0.202576 ] [ 0.490014 0.75 0.144342 ] [ 0.509986 0.25 0.855658 ] [ 0.546068 0.25 0.406252 ] [ 0.453932 0.75 0.593748 ] ] } "species" { "source-value" [ "Cd" "Cd" "Bi" "Bi" "Cl" "Cl" "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" 6.2912512356 "source-unit" "angstrom" } "b" { "source-value" 4.24651315 "source-unit" "angstrom" } "c" { "source-value" 7.66067680695 "source-unit" "angstrom" } "beta" { "source-value" 98.1641046039 "source-unit" "degree" } }