{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.363586 ] [ 0.333333 0.666667 0.636414 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.192814 ] [ 0.666667 0.333333 0.807186 ] [ 0 0 0 ] [ 0.666667 0.333333 0.089466 ] [ 0.333333 0.666667 0.910534 ] [ 0.666667 0.333333 0.576498 ] [ 0.333333 0.666667 0.423502 ] [ 0 0 0.277177 ] [ 0 0 0.722823 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "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" 4.40099328388 "source-unit" "angstrom" } "c" { "source-value" 21.54574688 "source-unit" "angstrom" } }