{ "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" [ [ 0.355649 0 0.188265 ] [ 0.644351 0 0.811735 ] [ 0 0.757988 0.5 ] [ 0 0.242012 0.5 ] [ 0 0.212934 0 ] [ 0 0.787066 0 ] [ 0.855649 0.5 0.188265 ] [ 0.144351 0.5 0.811735 ] [ 0.5 0.257988 0.5 ] [ 0.5 0.742012 0.5 ] [ 0.5 0.712934 0 ] [ 0.5 0.287066 0 ] [ 0.196728 0 0.685848 ] [ 0.803272 0 0.314152 ] [ 0.696728 0.5 0.685848 ] [ 0.303272 0.5 0.314152 ] [ 0.701577 0.130856 0.224567 ] [ 0.298423 0.130856 0.775433 ] [ 0.298423 0.869144 0.775433 ] [ 0.701577 0.869144 0.224567 ] [ 0 0 0.5 ] [ 0.201577 0.630856 0.224567 ] [ 0.798423 0.630856 0.775433 ] [ 0.798423 0.369144 0.775433 ] [ 0.201577 0.369144 0.224567 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Fe" "Fe" "Fe" "Fe" "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" 7.58193916447 "source-unit" "angstrom" } "b" { "source-value" 12.5408871399 "source-unit" "angstrom" } "c" { "source-value" 7.48680733669 "source-unit" "angstrom" } "beta" { "source-value" 94.8784316624 "source-unit" "degree" } }