{ "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 0.752388 0.25 ] [ 0.752388 0 0.25 ] [ 0.752388 0.752388 0.75 ] [ 0.666667 0.333333 0.5 ] [ 0.247612 0.247612 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.247612 0 0.75 ] [ 0.666667 0.333333 0 ] [ 0 0.247612 0.75 ] [ 0.333333 0.666667 0 ] [ 0 0.610357 0.75 ] [ 0.389643 0.389643 0.75 ] [ 0.610357 0.610357 0.25 ] [ 0.610357 0 0.75 ] [ 0 0.389643 0.25 ] [ 0.389643 0 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.99186608 "source-unit" "angstrom" } "c" { "source-value" 6.2138248 "source-unit" "angstrom" } }