{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.755216 0.755216 0.25 ] [ 0 0.244784 0.25 ] [ 0.755216 0 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.244784 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0 0.755216 0.75 ] [ 0.333333 0.666667 0 ] [ 0.244784 0.244784 0.75 ] [ 0.666667 0.333333 0 ] [ 0.604715 0.604715 0.75 ] [ 0.395285 0 0.75 ] [ 0.604715 0 0.25 ] [ 0 0.395285 0.75 ] [ 0.395285 0.395285 0.25 ] [ 0 0.604715 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.12062273166 "source-unit" "angstrom" } "c" { "source-value" 4.84230147 "source-unit" "angstrom" } }