{ "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" [ [ 0.755061 0.5 0.617554 ] [ 0.781558 0 0.872677 ] [ 0.907383 0.5 0.347613 ] [ 0.218442 0 0.127323 ] [ 0.244939 0.5 0.382446 ] [ 0.085566 0 0.419439 ] [ 0.914434 0 0.580561 ] [ 0.092617 0.5 0.652387 ] [ 0.255061 0 0.617554 ] [ 0.281558 0.5 0.872677 ] [ 0.407383 0 0.347613 ] [ 0.718442 0.5 0.127323 ] [ 0.744939 0 0.382446 ] [ 0.585566 0.5 0.419439 ] [ 0.414434 0.5 0.580561 ] [ 0.592617 0 0.652387 ] [ 0.921072 0.5 0.805391 ] [ 0.135017 0 0.867095 ] [ 0.864983 0 0.132905 ] [ 0.078928 0.5 0.194609 ] [ 0.421072 0 0.805391 ] [ 0.635017 0.5 0.867095 ] [ 0.364983 0.5 0.132905 ] [ 0.578928 0 0.194609 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.2375607913 "source-unit" "angstrom" } "b" { "source-value" 3.75675772 "source-unit" "angstrom" } "c" { "source-value" 10.1284591778 "source-unit" "angstrom" } "beta" { "source-value" 90.2467650297 "source-unit" "degree" } }