{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.304293 0.5 ] [ 0.695707 0.695707 0.5 ] [ 0.304293 0 0.5 ] [ 0 0.640255 0 ] [ 0.359745 0.359745 0 ] [ 0.640255 0 0 ] [ 0.666667 0.333333 0.327145 ] [ 0.666667 0.333333 0.672855 ] [ 0.333333 0.666667 0.672855 ] [ 0.333333 0.666667 0.327145 ] [ 0 0 0.828288 ] [ 0 0 0.171712 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "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" 8.96560502 "source-unit" "angstrom" } "c" { "source-value" 6.19737012 "source-unit" "angstrom" } }