{ "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" [ [ 0.696835 0.645656 0.75 ] [ 0.051179 0.696835 0.25 ] [ 0.645656 0.948821 0.25 ] [ 0.354344 0.051179 0.75 ] [ 0.948821 0.303165 0.75 ] [ 0.303165 0.354344 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.434767 0.836743 0.75 ] [ 0.598024 0.434767 0.25 ] [ 0.836743 0.401976 0.25 ] [ 0.163257 0.598024 0.75 ] [ 0.565233 0.163257 0.25 ] [ 0.401976 0.565233 0.75 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "B" "B" "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" 9.42539624728 "source-unit" "angstrom" } "c" { "source-value" 3.88735161 "source-unit" "angstrom" } }