{ "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 0.538267 0.820973 ] [ 0.75 0.461733 0.179027 ] [ 0.25 0.038267 0.679027 ] [ 0.75 0.961733 0.320973 ] [ 0.25 0.633418 0.442614 ] [ 0.75 0.366582 0.557386 ] [ 0.25 0.133418 0.057386 ] [ 0.75 0.866582 0.942614 ] [ 0.75 0.746546 0.626458 ] [ 0.25 0.253454 0.373542 ] [ 0.75 0.246546 0.873542 ] [ 0.25 0.753454 0.126458 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Mg" "Mg" "Mg" "Mg" "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" 4.22015077 "source-unit" "angstrom" } "b" { "source-value" 7.30276532 "source-unit" "angstrom" } "c" { "source-value" 8.75504976 "source-unit" "angstrom" } }