{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.736539 0.758023 0 ] [ 0.241977 0.736539 0 ] [ 0.758023 0.263461 0 ] [ 0.263461 0.241977 0 ] [ 0.5 0.5 0.783531 ] [ 0.5 0.5 0.216469 ] [ 0.236539 0.258023 0.5 ] [ 0.741977 0.236539 0.5 ] [ 0.258023 0.763461 0.5 ] [ 0.763461 0.741977 0.5 ] [ 0 0 0.283531 ] [ 0 0 0.716469 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "W" "W" "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" 5.61308559317 "source-unit" "angstrom" } "c" { "source-value" 9.00275531699 "source-unit" "angstrom" } }