{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.018781 0.918347 0.75 ] [ 0.518781 0.581653 0.25 ] [ 0.481219 0.418347 0.75 ] [ 0.981219 0.081653 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.702028 0.324505 0.444529 ] [ 0.202028 0.175495 0.555471 ] [ 0.797972 0.824505 0.055471 ] [ 0.297972 0.675495 0.944529 ] [ 0.297972 0.675495 0.555471 ] [ 0.797972 0.824505 0.444529 ] [ 0.202028 0.175495 0.944529 ] [ 0.702028 0.324505 0.055471 ] [ 0.116033 0.460093 0.25 ] [ 0.616034 0.039907 0.75 ] [ 0.883966 0.539907 0.75 ] [ 0.383966 0.960093 0.25 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Mn" "Mn" "Mn" "Mn" "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" 5.34919863 "source-unit" "angstrom" } "b" { "source-value" 5.87388165 "source-unit" "angstrom" } "c" { "source-value" 7.51867058 "source-unit" "angstrom" } }