{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.62894 ] [ 0.333333 0.666667 0.37106 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.829824 0.659648 0.186257 ] [ 0.340352 0.170176 0.186257 ] [ 0.829824 0.170176 0.186257 ] [ 0.170176 0.829824 0.813743 ] [ 0.170176 0.340352 0.813743 ] [ 0.659648 0.829824 0.813743 ] ] } "species" { "source-value" [ "Tl" "Tl" "Pt" "Pt" "Pt" "Pt" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.21783803 "source-unit" "angstrom" } "c" { "source-value" 6.21015793 "source-unit" "angstrom" } }