{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.094795 ] [ 0.5 0 0.352453 ] [ 0 0.5 0.647547 ] [ 0 0.5 0.905205 ] [ 0.5 0 0.786645 ] [ 0 0.5 0.213355 ] [ 0.5 0 0.574358 ] [ 0 0.5 0.425642 ] [ 0 0.5 0.074715 ] [ 0 0 0.238116 ] [ 0.5 0.5 0.761884 ] [ 0.5 0 0.925285 ] [ 0 0 0.761884 ] [ 0.5 0.5 0.238116 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "Cl" "Cl" "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" 4.28799492 "source-unit" "angstrom" } "c" { "source-value" 15.27099165 "source-unit" "angstrom" } }