{ "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" [ [ 0.507255 0.537526 0.25 ] [ 0.007255 0.962474 0.75 ] [ 0.992745 0.037526 0.25 ] [ 0.492745 0.462474 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.702126 0.295373 0.454368 ] [ 0.202126 0.204627 0.545632 ] [ 0.797874 0.795373 0.045632 ] [ 0.297874 0.704627 0.954368 ] [ 0.297874 0.704627 0.545632 ] [ 0.797874 0.795373 0.454368 ] [ 0.202126 0.204627 0.954368 ] [ 0.702126 0.295373 0.045632 ] [ 0.41124 0.975224 0.25 ] [ 0.91124 0.524776 0.75 ] [ 0.08876 0.475224 0.25 ] [ 0.58876 0.024776 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sb" "Sb" "Sb" "Sb" "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" 5.47647354 "source-unit" "angstrom" } "b" { "source-value" 5.53594835 "source-unit" "angstrom" } "c" { "source-value" 7.79696934 "source-unit" "angstrom" } }