{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.316641 0.386135 0.139518 ] [ 0.930506 0.316641 0.639518 ] [ 0.386135 0.069494 0.639518 ] [ 0.613865 0.930506 0.139518 ] [ 0.069494 0.683359 0.139518 ] [ 0.683359 0.613865 0.639518 ] [ 0.683359 0.613865 0.860482 ] [ 0.069494 0.683359 0.360482 ] [ 0.613865 0.930506 0.360482 ] [ 0.386135 0.069494 0.860482 ] [ 0.930506 0.316641 0.860482 ] [ 0.316641 0.386135 0.360482 ] [ 0.080627 0.42682 0.25 ] [ 0.653807 0.080627 0.75 ] [ 0.42682 0.346193 0.75 ] [ 0.57318 0.653807 0.25 ] [ 0.346193 0.919373 0.25 ] [ 0.919373 0.57318 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.983908 ] [ 0.666667 0.333333 0.483908 ] [ 0.666667 0.333333 0.016092 ] [ 0.333333 0.666667 0.516092 ] [ 0.333333 0.666667 0.187011 ] [ 0.666667 0.333333 0.687011 ] [ 0.666667 0.333333 0.812989 ] [ 0.333333 0.666667 0.312989 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "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" 8.46389347498 "source-unit" "angstrom" } "c" { "source-value" 30.81083393 "source-unit" "angstrom" } }