{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.666667 0.333333 0.675328 ] [ 0.666667 0.333333 0.824672 ] [ 0.333333 0.666667 0.324672 ] [ 0.333333 0.666667 0.175328 ] [ 0.022131 0.343785 0.131565 ] [ 0.656215 0.678347 0.131565 ] [ 0.321653 0.977869 0.131565 ] [ 0.656215 0.977869 0.368435 ] [ 0.321653 0.343785 0.368435 ] [ 0.022131 0.678347 0.368435 ] [ 0.977869 0.656215 0.868435 ] [ 0.343785 0.321653 0.868435 ] [ 0.678347 0.022131 0.868435 ] [ 0.343785 0.022131 0.631565 ] [ 0.678347 0.656215 0.631565 ] [ 0.977869 0.321653 0.631565 ] ] } "species" { "source-value" [ "Er" "Er" "Ag" "Ag" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.6535651793 "source-unit" "angstrom" } "c" { "source-value" 15.23170827 "source-unit" "angstrom" } }