{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.646617 0.298943 0.5 ] [ 0.701057 0.646617 0 ] [ 0.298943 0.353383 0 ] [ 0.353383 0.701057 0.5 ] [ 0.174142 0.272321 0.323146 ] [ 0.727679 0.174142 0.823146 ] [ 0.272321 0.825858 0.823146 ] [ 0.825858 0.727679 0.323146 ] [ 0.825858 0.727679 0.676854 ] [ 0.272321 0.825858 0.176854 ] [ 0.727679 0.174142 0.176854 ] [ 0.174142 0.272321 0.676854 ] ] } "species" { "source-value" [ "Tb" "Tb" "Ca" "Ca" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.39023693 "source-unit" "angstrom" } "c" { "source-value" 7.97049029 "source-unit" "angstrom" } }