{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.161945 0.141425 0.25 ] [ 0.02052 0.161945 0.75 ] [ 0.141425 0.97948 0.75 ] [ 0.858575 0.02052 0.25 ] [ 0.97948 0.838055 0.25 ] [ 0.838055 0.858575 0.75 ] [ 0.044359 0.346445 0.25 ] [ 0.697914 0.044359 0.75 ] [ 0.346445 0.302086 0.75 ] [ 0.653555 0.697914 0.25 ] [ 0.302086 0.955641 0.25 ] [ 0.955641 0.653555 0.75 ] ] } "species" { "source-value" [ "Tl" "Tl" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.45290963922 "source-unit" "angstrom" } "c" { "source-value" 4.25184877 "source-unit" "angstrom" } }