{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.719203 0.08945 0.998277 ] [ 0.91055 0.629752 0.998277 ] [ 0.629752 0.719203 0.498277 ] [ 0.280797 0.91055 0.498277 ] [ 0.08945 0.370248 0.498277 ] [ 0.370248 0.280797 0.998277 ] [ 0.333333 0.666667 0.987079 ] [ 0.666667 0.333333 0.487079 ] [ 0.601992 0.143557 0.581489 ] [ 0.458435 0.601992 0.081489 ] [ 0.143557 0.541565 0.081489 ] [ 0.856443 0.458435 0.581489 ] [ 0.333333 0.666667 0.684223 ] [ 0.398008 0.856443 0.081489 ] [ 0.666667 0.333333 0.184223 ] [ 0.541565 0.398008 0.581489 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "P" "P" "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" 8.86042931037 "source-unit" "angstrom" } "c" { "source-value" 5.21791433 "source-unit" "angstrom" } }