{ "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" [ [ 0.982351 0.491175 0.25 ] [ 0.508825 0.491175 0.25 ] [ 0.491175 0.982351 0.75 ] [ 0.017649 0.508825 0.75 ] [ 0.491175 0.508825 0.75 ] [ 0.508825 0.017649 0.25 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.166675 0.833325 0.499451 ] [ 0.166675 0.333351 0.499451 ] [ 0.666649 0.833325 0.499451 ] [ 0.333351 0.166675 0.999451 ] [ 0.833325 0.666649 0.500549 ] [ 0.833325 0.166675 0.999451 ] [ 0.833325 0.666649 0.999451 ] [ 0.166675 0.333351 0.000549 ] [ 0.666649 0.833325 0.000549 ] [ 0.333351 0.166675 0.500549 ] [ 0.833325 0.166675 0.500549 ] [ 0.166675 0.833325 0.000549 ] [ 0.333333 0.666667 0.033131 ] [ 0.666667 0.333333 0.966869 ] [ 0.666667 0.333333 0.533131 ] [ 0.333333 0.666667 0.466869 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" ] } "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" 8.14910719354 "source-unit" "angstrom" } "c" { "source-value" 7.80224351 "source-unit" "angstrom" } }