{ "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" [ [ 0.012357 0.051479 0.25 ] [ 0.512357 0.448521 0.75 ] [ 0.487643 0.551479 0.25 ] [ 0.987643 0.948521 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.291662 0.291987 0.455786 ] [ 0.791662 0.208013 0.544214 ] [ 0.208338 0.791987 0.044214 ] [ 0.708338 0.708013 0.955786 ] [ 0.708338 0.708013 0.544214 ] [ 0.208338 0.791987 0.455786 ] [ 0.791662 0.208013 0.955786 ] [ 0.291662 0.291987 0.044214 ] [ 0.916507 0.478882 0.25 ] [ 0.416507 0.021118 0.75 ] [ 0.583493 0.978882 0.25 ] [ 0.083493 0.521118 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Al" "Al" "Al" "Al" "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" 5.23635306 "source-unit" "angstrom" } "b" { "source-value" 5.37614173 "source-unit" "angstrom" } "c" { "source-value" 7.46483374 "source-unit" "angstrom" } }