{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.010897 0.699477 ] [ 0.75 0.989103 0.300523 ] [ 0.75 0.489103 0.199477 ] [ 0.25 0.510897 0.800523 ] [ 0.75 0.812316 0.909682 ] [ 0.25 0.687684 0.409682 ] [ 0.25 0.187684 0.090318 ] [ 0.75 0.312316 0.590318 ] [ 0.75 0.207443 0.921393 ] [ 0.75 0.707443 0.578607 ] [ 0.25 0.292557 0.421393 ] [ 0.25 0.792557 0.078607 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Bi" "Bi" "Bi" "Bi" "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" 4.76679684 "source-unit" "angstrom" } "b" { "source-value" 7.37672201 "source-unit" "angstrom" } "c" { "source-value" 8.0534994 "source-unit" "angstrom" } }