{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.184205 0.622908 ] [ 0.75 0.315795 0.122908 ] [ 0.25 0.684205 0.877092 ] [ 0.75 0.815795 0.377092 ] [ 0.25 0.106658 0.277743 ] [ 0.25 0.137379 0.947551 ] [ 0.75 0.362621 0.447551 ] [ 0.75 0.393342 0.777743 ] [ 0.25 0.606658 0.222257 ] [ 0.25 0.637379 0.552449 ] [ 0.75 0.862621 0.052449 ] [ 0.75 0.893342 0.722257 ] [ 0.75 0.001412 0.897335 ] [ 0.25 0.025709 0.65784 ] [ 0.25 0.228349 0.46384 ] [ 0.75 0.226868 0.266146 ] [ 0.75 0.239843 0.620398 ] [ 0.25 0.260157 0.120398 ] [ 0.25 0.273132 0.766146 ] [ 0.75 0.271651 0.96384 ] [ 0.75 0.474291 0.15784 ] [ 0.25 0.498588 0.397335 ] [ 0.75 0.501412 0.602665 ] [ 0.25 0.525709 0.84216 ] [ 0.25 0.728349 0.03616 ] [ 0.75 0.726868 0.233854 ] [ 0.75 0.739843 0.879602 ] [ 0.25 0.760157 0.379602 ] [ 0.25 0.773132 0.733854 ] [ 0.75 0.771651 0.53616 ] [ 0.75 0.974291 0.34216 ] [ 0.25 0.998588 0.102665 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 3.87467797 "source-unit" "angstrom" } "b" { "source-value" 10.90170928 "source-unit" "angstrom" } "c" { "source-value" 11.62458783 "source-unit" "angstrom" } }