{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.405876 0.020408 0.25 ] [ 0.594124 0.614533 0.75 ] [ 0.614533 0.594124 0.25 ] [ 0.979592 0.385467 0.25 ] [ 0.020408 0.405876 0.75 ] [ 0.385467 0.979592 0.75 ] [ 0.270473 0.270473 0.5 ] [ 0.270473 0.270473 0 ] [ 0.729527 0 0 ] [ 0 0.729527 0.5 ] [ 0.729527 0 0.5 ] [ 0 0.729527 0 ] [ 0.666667 0.333333 0.537475 ] [ 0.666667 0.333333 0.962525 ] [ 0.333333 0.666667 0.037475 ] [ 0.333333 0.666667 0.462525 ] [ 0 0 0.75 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.40926173927 "source-unit" "angstrom" } "c" { "source-value" 7.39809485 "source-unit" "angstrom" } }