{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.174107 0 0.032554 ] [ 0.825893 0 0.967446 ] [ 0.674107 0.5 0.032554 ] [ 0.325893 0.5 0.967446 ] [ 0.408431 0 0.79594 ] [ 0.591569 0 0.20406 ] [ 0.083044 0.732338 0.456937 ] [ 0.916956 0.732338 0.543063 ] [ 0.916956 0.267662 0.543063 ] [ 0.083044 0.267662 0.456937 ] [ 0.908431 0.5 0.79594 ] [ 0.091569 0.5 0.20406 ] [ 0.583044 0.232338 0.456937 ] [ 0.416956 0.232338 0.543063 ] [ 0.416956 0.767662 0.543063 ] [ 0.583044 0.767662 0.456937 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.03751366 "source-unit" "angstrom" } "b" { "source-value" 7.74915825 "source-unit" "angstrom" } "c" { "source-value" 4.80018241 "source-unit" "angstrom" } "beta" { "source-value" 114.95347495 "source-unit" "degree" } }