{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.260903 0 ] [ 0.25 0.239097 0.5 ] [ 0.75 0.760903 0.5 ] [ 0.75 0.739097 0 ] [ 0 0 0.297925 ] [ 0 0.5 0.202075 ] [ 0.5 0.5 0.202075 ] [ 0.5 0 0.297925 ] [ 0.75 0.167232 0 ] [ 0.75 0.332768 0.5 ] [ 0.5 0.5 0.797925 ] [ 0.5 0 0.702075 ] [ 0 0 0.702075 ] [ 0 0.5 0.797925 ] [ 0.25 0.667232 0.5 ] [ 0.25 0.832768 0 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Ba" "Ba" "Ba" "Ba" "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" 6.23370711892 "source-unit" "angstrom" } "b" { "source-value" 6.30855828218 "source-unit" "angstrom" } "c" { "source-value" 8.87328964536 "source-unit" "angstrom" } }