{ "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 0.52573 0.326971 ] [ 0.75 0.47427 0.673029 ] [ 0.25 0.02573 0.173029 ] [ 0.75 0.97427 0.826971 ] [ 0.25 0.267083 0.875369 ] [ 0.75 0.732917 0.124631 ] [ 0.25 0.767083 0.624631 ] [ 0.75 0.232917 0.375369 ] [ 0.75 0.855003 0.436284 ] [ 0.25 0.144997 0.563716 ] [ 0.75 0.355003 0.063716 ] [ 0.25 0.644997 0.936284 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Si" "Si" "Si" "Si" "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" 3.76930392 "source-unit" "angstrom" } "b" { "source-value" 6.41660403 "source-unit" "angstrom" } "c" { "source-value" 7.35051501 "source-unit" "angstrom" } }