{ "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" [ [ 0.620506 0.684979 0.75 ] [ 0.935527 0.620506 0.25 ] [ 0.684979 0.064473 0.25 ] [ 0.315021 0.935527 0.75 ] [ 0.064473 0.379494 0.75 ] [ 0.379494 0.315021 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.964037 0.772957 0.75 ] [ 0.191081 0.964037 0.25 ] [ 0.772957 0.808919 0.25 ] [ 0.227043 0.191081 0.75 ] [ 0.808919 0.035963 0.75 ] [ 0.035963 0.227043 0.25 ] [ 0.8643 0.578715 0.75 ] [ 0.285585 0.8643 0.25 ] [ 0.578715 0.714415 0.25 ] [ 0.421285 0.285585 0.75 ] [ 0.1357 0.421285 0.25 ] [ 0.714415 0.1357 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12064196048 "source-unit" "angstrom" } "c" { "source-value" 4.99825332 "source-unit" "angstrom" } }