{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.063072 ] [ 0.666667 0.333333 0.563072 ] [ 0.666667 0.333333 0.936928 ] [ 0.333333 0.666667 0.436928 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.82901 0.65802 0.25 ] [ 0.17099 0.82901 0.75 ] [ 0.65802 0.82901 0.75 ] [ 0.34198 0.17099 0.25 ] [ 0.82901 0.17099 0.25 ] [ 0.17099 0.34198 0.75 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.89554176024 "source-unit" "angstrom" } "c" { "source-value" 8.04778962 "source-unit" "angstrom" } }