{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.066401 0.318894 ] [ 0.5 0.433599 0.818894 ] [ 0.5 0.566401 0.181106 ] [ 0.5 0.933599 0.681106 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.138761 0.807707 ] [ 0.5 0.225691 0.045429 ] [ 0.5 0.274309 0.545429 ] [ 0 0.361239 0.307707 ] [ 0 0.638761 0.692293 ] [ 0.5 0.725691 0.454571 ] [ 0.5 0.774309 0.954571 ] [ 0 0.861239 0.192293 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Hf" "Hf" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.27935823 "source-unit" "angstrom" } "b" { "source-value" 5.74887014 "source-unit" "angstrom" } "c" { "source-value" 9.92522054 "source-unit" "angstrom" } }