{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.249135 0.144017 0.71869 ] [ 0.250865 0.644017 0.78131 ] [ 0.250865 0.355983 0.28131 ] [ 0.249135 0.855983 0.21869 ] [ 0.749135 0.644017 0.71869 ] [ 0.750865 0.144017 0.78131 ] [ 0.750865 0.855983 0.28131 ] [ 0.749135 0.355983 0.21869 ] [ 0.5 0.193909 0.25 ] [ 0.609334 0.044641 0.458496 ] [ 0.609334 0.955359 0.958496 ] [ 0.5 0.806091 0.75 ] [ 0.390666 0.044641 0.041504 ] [ 0.390666 0.955359 0.541504 ] [ 0 0.693909 0.25 ] [ 0.109334 0.544641 0.458496 ] [ 0.109334 0.455359 0.958496 ] [ 0 0.306091 0.75 ] [ 0.890666 0.544641 0.041504 ] [ 0.890666 0.455359 0.541504 ] [ 0 0.119512 0.25 ] [ 0 0.880488 0.75 ] [ 0.5 0.619512 0.25 ] [ 0.5 0.380488 0.75 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.3885745569 "source-unit" "angstrom" } "b" { "source-value" 9.4241917123 "source-unit" "angstrom" } "c" { "source-value" 7.64209475251 "source-unit" "angstrom" } "beta" { "source-value" 99.4813015667 "source-unit" "degree" } }