{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_221" } "basis-atom-coordinates" { "source-value" [ [ 0 0.471138 0.333333 ] [ 0.528862 0.528862 0 ] [ 0.471138 0 0.666667 ] [ 0.148523 0.734496 0.546133 ] [ 0.585973 0.851477 0.879466 ] [ 0.265504 0.414027 0.2128 ] [ 0.414027 0.265504 0.7872 ] [ 0.851477 0.585973 0.120534 ] [ 0.734496 0.148523 0.453867 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.98530290982 "source-unit" "angstrom" } "c" { "source-value" 5.47852971074 "source-unit" "angstrom" } }