{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.230127 ] [ 0 0 0.264724 ] [ 0 0 0.764724 ] [ 0.666667 0.333333 0.730127 ] [ 0.333333 0.666667 0.730127 ] [ 0.333333 0.666667 0.230127 ] [ 0.333642 0 0.49591 ] [ 0.666358 0 0.99591 ] [ 0 0.333642 0.49591 ] [ 0 0.666358 0.99591 ] [ 0.333642 0.333642 0.99591 ] [ 0.666358 0.666358 0.49591 ] [ 0.304934 0 0.669152 ] [ 0.363746 0 0.324609 ] [ 0.636254 0 0.824609 ] [ 0.695066 0 0.169152 ] [ 0.666667 0.333333 0.028219 ] [ 0 0 0.46083 ] [ 0 0 0.96083 ] [ 0.666667 0.333333 0.528219 ] [ 0 0.304934 0.669152 ] [ 0 0.363746 0.324609 ] [ 0.304934 0.304934 0.169152 ] [ 0 0.636254 0.824609 ] [ 0 0.695066 0.169152 ] [ 0.363746 0.363746 0.824609 ] [ 0.333333 0.666667 0.528219 ] [ 0.333333 0.666667 0.028219 ] [ 0.636254 0.636254 0.324609 ] [ 0.695066 0.695066 0.669152 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "In" "In" "In" "In" "In" "In" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.32557012 "source-unit" "angstrom" } "c" { "source-value" 12.27734869 "source-unit" "angstrom" } }