{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.183021 ] [ 0.5 0.5 0.816979 ] [ 0.5 0.5 0 ] [ 0 0 0.683021 ] [ 0 0 0.316979 ] [ 0 0 0.5 ] [ 0 0 0.897163 ] [ 0 0 0.102837 ] [ 0.5 0.5 0.397163 ] [ 0.5 0.5 0.602837 ] [ 0 0 0.801377 ] [ 0 0 0.198623 ] [ 0 0.5 0.916087 ] [ 0.5 0 0.916087 ] [ 0 0.5 0.083913 ] [ 0.5 0 0.083913 ] [ 0.5 0.5 0.301377 ] [ 0.5 0.5 0.698623 ] [ 0.5 0 0.416087 ] [ 0 0.5 0.416087 ] [ 0.5 0 0.583913 ] [ 0 0.5 0.583913 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "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" 4.2576704077 "source-unit" "angstrom" } "c" { "source-value" 21.9826879054 "source-unit" "angstrom" } }