{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.499679 0.500321 0.238482 ] [ 0.500321 0.000641 0.738482 ] [ 0.500321 0.499679 0.738482 ] [ 0.000641 0.500321 0.238482 ] [ 0.499679 0.999359 0.238482 ] [ 0.999359 0.499679 0.738482 ] [ 0 0 0.233319 ] [ 0 0 0.733319 ] [ 0.848993 0.697986 0.36046 ] [ 0.333333 0.666667 0.111146 ] [ 0.151007 0.848993 0.86046 ] [ 0.151007 0.302014 0.86046 ] [ 0.697986 0.848993 0.86046 ] [ 0.848993 0.151007 0.36046 ] [ 0.666667 0.333333 0.611146 ] [ 0.302014 0.151007 0.36046 ] [ 0.333333 0.666667 0.542809 ] [ 0.666667 0.333333 0.042809 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.87690488344 "source-unit" "angstrom" } "c" { "source-value" 10.34961687 "source-unit" "angstrom" } }