{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0 0.75 ] [ 0.691309 0.5 0.816617 ] [ 0 0.191309 0.683383 ] [ 0 0.308691 0.066617 ] [ 0.5 0.308691 0.183383 ] [ 0.808691 0 0.316617 ] [ 0.308691 0 0.933383 ] [ 0.691309 0 0.933383 ] [ 0 0.691309 0.066617 ] [ 0.191309 0 0.316617 ] [ 0.5 0.691309 0.183383 ] [ 0.5 0.808691 0.566617 ] [ 0 0.808691 0.683383 ] [ 0.308691 0.5 0.816617 ] [ 0.808691 0.5 0.433383 ] [ 0.191309 0.5 0.433383 ] [ 0.5 0.191309 0.566617 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Nb" "Nb" "Nb" "Nb" "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" 7.366796 "source-unit" "angstrom" } "c" { "source-value" 6.71957624 "source-unit" "angstrom" } }