{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.916375 ] [ 0 0.5 0.083625 ] [ 0 0 0.692297 ] [ 0.5 0.5 0.307703 ] [ 0.5 0.5 0.960896 ] [ 0 0 0.039104 ] ] } "species" { "source-value" [ "Ti" "Ti" "Br" "Br" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.37770363 "source-unit" "angstrom" } "b" { "source-value" 3.96139096 "source-unit" "angstrom" } "c" { "source-value" 8.93237237 "source-unit" "angstrom" } }