{ "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" [ [ 0.5 0.118392 0.340897 ] [ 0.5 0.881608 0.659103 ] [ 0.5 0.618392 0.159103 ] [ 0.5 0.381608 0.840897 ] [ 0 0.117998 0.578199 ] [ 0 0.882002 0.421801 ] [ 0 0.617998 0.921801 ] [ 0 0.382002 0.078199 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.243705 0.162313 ] [ 0.5 0.756295 0.837687 ] [ 0.5 0.743705 0.337687 ] [ 0.5 0.256295 0.662313 ] [ 0 0.255079 0.411437 ] [ 0 0.744921 0.588563 ] [ 0 0.755079 0.088563 ] [ 0 0.244921 0.911437 ] [ 0 0.001537 0.24348 ] [ 0 0.998463 0.75652 ] [ 0 0.501537 0.25652 ] [ 0 0.498463 0.74348 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Si" "Si" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.07918402 "source-unit" "angstrom" } "b" { "source-value" 13.31256035 "source-unit" "angstrom" } "c" { "source-value" 14.08290938 "source-unit" "angstrom" } }