{ "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" [ [ 0.75 0.803422 0.408465 ] [ 0.25 0.196578 0.591535 ] [ 0.75 0.303422 0.091535 ] [ 0.25 0.696578 0.908465 ] [ 0.75 0.993467 0.805717 ] [ 0.25 0.006533 0.194283 ] [ 0.75 0.493467 0.694283 ] [ 0.25 0.506533 0.305717 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "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" 3.91651646 "source-unit" "angstrom" } "b" { "source-value" 6.05694853 "source-unit" "angstrom" } "c" { "source-value" 6.42334932 "source-unit" "angstrom" } }