{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.489795 0.75 0.21962 ] [ 0.989795 0.25 0.28038 ] [ 0.510205 0.25 0.78038 ] [ 0.010205 0.75 0.71962 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.933067 0.75 0.402028 ] [ 0.433067 0.25 0.097972 ] [ 0.066933 0.25 0.597972 ] [ 0.566933 0.75 0.902028 ] [ 0.220074 0.460626 0.664484 ] [ 0.720074 0.539374 0.835516 ] [ 0.779926 0.960626 0.335516 ] [ 0.279926 0.039374 0.164484 ] [ 0.779926 0.539374 0.335516 ] [ 0.279926 0.460626 0.164484 ] [ 0.220074 0.039374 0.664484 ] [ 0.720074 0.960626 0.835516 ] [ 0.789715 0.75 0.546709 ] [ 0.289715 0.25 0.953291 ] [ 0.210285 0.25 0.453291 ] [ 0.710285 0.75 0.046709 ] [ 0.233418 0.75 0.902928 ] [ 0.733418 0.25 0.597072 ] [ 0.766582 0.25 0.097072 ] [ 0.266582 0.75 0.402928 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "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" 5.2880704 "source-unit" "angstrom" } "b" { "source-value" 6.69390877 "source-unit" "angstrom" } "c" { "source-value" 11.40692288 "source-unit" "angstrom" } }