{ "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" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.983327 0.050689 0.25 ] [ 0.483327 0.449311 0.75 ] [ 0.516673 0.550689 0.25 ] [ 0.016673 0.949311 0.75 ] [ 0.202799 0.2054 0.560387 ] [ 0.702799 0.2946 0.439613 ] [ 0.297201 0.7054 0.939613 ] [ 0.797201 0.7946 0.060387 ] [ 0.797201 0.7946 0.439613 ] [ 0.297201 0.7054 0.560387 ] [ 0.702799 0.2946 0.060387 ] [ 0.202799 0.2054 0.939613 ] [ 0.113051 0.449694 0.25 ] [ 0.613051 0.050306 0.75 ] [ 0.386949 0.949694 0.25 ] [ 0.886949 0.550306 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Sr" "Sr" "Sr" "Sr" "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" 6.04834532 "source-unit" "angstrom" } "b" { "source-value" 6.22670828 "source-unit" "angstrom" } "c" { "source-value" 8.597645 "source-unit" "angstrom" } }