{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6c2" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.073885 0.288374 0.25 ] [ 0.214489 0.926115 0.25 ] [ 0.711626 0.785511 0.25 ] [ 0.711626 0.926115 0.75 ] [ 0.214489 0.288374 0.75 ] [ 0.073885 0.785511 0.75 ] [ 0.264459 0.196724 0.25 ] [ 0.932264 0.735541 0.25 ] [ 0.803276 0.067736 0.25 ] [ 0.803276 0.735541 0.75 ] [ 0.932264 0.196724 0.75 ] [ 0.264459 0.067736 0.75 ] [ 0.100727 0.439602 0.110106 ] [ 0.338875 0.899273 0.389894 ] [ 0.560398 0.661125 0.389894 ] [ 0.560398 0.661125 0.110106 ] [ 0.338875 0.899273 0.110106 ] [ 0.560398 0.899273 0.889894 ] [ 0.338875 0.439602 0.889894 ] [ 0.100727 0.661125 0.889894 ] [ 0.338875 0.439602 0.610106 ] [ 0.100727 0.661125 0.610106 ] [ 0.100727 0.439602 0.389894 ] [ 0.560398 0.899273 0.610106 ] ] } "species" { "source-value" [ "Ta" "Ta" "Tl" "Tl" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "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" 7.13363271567 "source-unit" "angstrom" } "c" { "source-value" 10.28601839 "source-unit" "angstrom" } }