{ "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" [ [ 0.191984 0.5 0.164924 ] [ 0.808016 0.5 0.835076 ] [ 0.691984 0 0.164924 ] [ 0.308016 0 0.835076 ] [ 0.034593 0 0.798438 ] [ 0.965407 0 0.201562 ] [ 0.534593 0.5 0.798438 ] [ 0.465407 0.5 0.201562 ] [ 0.821639 0.5 0.434101 ] [ 0.178361 0.5 0.565899 ] [ 0.321639 0 0.434101 ] [ 0.678361 0 0.565899 ] [ 0.044813 0.5 0.834854 ] [ 0.955187 0.5 0.165146 ] [ 0.080517 0 0.152393 ] [ 0 0 0.5 ] [ 0.173854 0 0.929829 ] [ 0.919483 0 0.847607 ] [ 0.826146 0 0.070171 ] [ 0.544813 0 0.834854 ] [ 0.455187 0 0.165146 ] [ 0.580517 0.5 0.152393 ] [ 0.5 0.5 0.5 ] [ 0.673854 0.5 0.929829 ] [ 0.419483 0.5 0.847607 ] [ 0.326146 0.5 0.070171 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Ta" "Ta" "Ta" "Ta" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "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" 15.6305425965 "source-unit" "angstrom" } "b" { "source-value" 3.96474696649 "source-unit" "angstrom" } "c" { "source-value" 6.97424453482 "source-unit" "angstrom" } "beta" { "source-value" 113.685267796 "source-unit" "degree" } }