{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.255728 0.542052 ] [ 0 0.744272 0.457948 ] [ 0 0.755728 0.957948 ] [ 0 0.244272 0.042052 ] [ 0.5 0.106026 0.803317 ] [ 0.5 0.893974 0.196683 ] [ 0.5 0.606026 0.696683 ] [ 0.5 0.393974 0.303317 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.359248 0.73523 ] [ 0 0.640752 0.26477 ] [ 0 0.859248 0.76477 ] [ 0 0.140752 0.23523 ] [ 0 0.401803 0.843184 ] [ 0 0.598197 0.156816 ] [ 0 0.098197 0.343184 ] [ 0 0.901803 0.656816 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.69536168 "source-unit" "angstrom" } "b" { "source-value" 6.62881512 "source-unit" "angstrom" } "c" { "source-value" 12.05187977 "source-unit" "angstrom" } }