{ "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 0 ] [ 0 0.5 0.5 ] [ 0.5 0.339781 0.14374 ] [ 0.5 0.660219 0.85626 ] [ 0.5 0.839781 0.35626 ] [ 0.5 0.160219 0.64374 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0.102986 0.236018 ] [ 0 0.897014 0.763982 ] [ 0 0.602986 0.263982 ] [ 0 0.397014 0.736018 ] [ 0.5 0.313734 0.39289 ] [ 0.5 0.686266 0.60711 ] [ 0.5 0.813734 0.10711 ] [ 0.5 0.186266 0.89289 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.1324027 "source-unit" "angstrom" } "b" { "source-value" 5.42380116 "source-unit" "angstrom" } "c" { "source-value" 10.5292308 "source-unit" "angstrom" } }