{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.333061 0.166484 0.25 ] [ 0.666939 0.166484 0.75 ] [ 0.666939 0.833516 0.75 ] [ 0.333061 0.833516 0.25 ] [ 0.833061 0.666484 0.25 ] [ 0.166939 0.666484 0.75 ] [ 0.166939 0.333516 0.75 ] [ 0.833061 0.333516 0.25 ] [ 0.164486 0 0.75 ] [ 0.835514 0 0.25 ] [ 0.664486 0.5 0.75 ] [ 0.335514 0.5 0.25 ] [ 0 0.83948 0.5 ] [ 0 0.83948 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.16052 0 ] [ 0 0.16052 0.5 ] [ 0.5 0.33948 0.5 ] [ 0.5 0.33948 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.66052 0 ] [ 0.5 0.66052 0.5 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Ca" "Ca" "Ca" "Ca" "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" 5.99782298 "source-unit" "angstrom" } "b" { "source-value" 10.39897012 "source-unit" "angstrom" } "c" { "source-value" 5.99483706 "source-unit" "angstrom" } }