{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.796618 ] [ 0.5 0 0.203382 ] [ 0 0.5 0.296618 ] [ 0 0.5 0.703382 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.76048 0.151002 ] [ 0 0.23952 0.848998 ] [ 0 0.76048 0.848998 ] [ 0 0.23952 0.151002 ] [ 0 0.5 0.5 ] [ 0.5 0.26048 0.651002 ] [ 0.5 0.73952 0.348998 ] [ 0.5 0.26048 0.348998 ] [ 0.5 0.73952 0.651002 ] ] } "species" { "source-value" [ "Ba" "Ba" "Er" "Er" "Er" "Er" "Ni" "Ni" "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" 3.78097469289 "source-unit" "angstrom" } "b" { "source-value" 5.76704050553 "source-unit" "angstrom" } "c" { "source-value" 11.3407328323 "source-unit" "angstrom" } }