{ "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" [ [ 0.760477 0.760477 0.25 ] [ 0.760477 0 0.75 ] [ 0 0.239523 0.25 ] [ 0 0.760477 0.75 ] [ 0.239523 0.239523 0.75 ] [ 0.239523 0 0.25 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.399334 0 0.75 ] [ 0.399334 0.399334 0.25 ] [ 0 0.600666 0.25 ] [ 0 0.399334 0.75 ] [ 0.600666 0.600666 0.75 ] [ 0.600666 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Si" "Si" "Si" "Si" "Si" "Si" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.50492989032 "source-unit" "angstrom" } "c" { "source-value" 6.30047292 "source-unit" "angstrom" } }