{ "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" [ [ 0.064447 0 0.704886 ] [ 0.935553 0 0.295114 ] [ 0.564447 0.5 0.704886 ] [ 0.435553 0.5 0.295114 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.562576 0 0.699577 ] [ 0.437424 0 0.300423 ] [ 0 0 0.5 ] [ 0.062576 0.5 0.699577 ] [ 0.937424 0.5 0.300423 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Co" "Co" "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" 4.6518162562 "source-unit" "angstrom" } "b" { "source-value" 4.6378902789 "source-unit" "angstrom" } "c" { "source-value" 10.8816218952 "source-unit" "angstrom" } "beta" { "source-value" 97.5659127606 "source-unit" "degree" } }