{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.835734 0.5 0.900863 ] [ 0.164266 0.5 0.099137 ] [ 0.335734 0 0.900863 ] [ 0.664266 0 0.099137 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.146429 0 0.094857 ] [ 0 0.5 0.5 ] [ 0.853571 0 0.905143 ] [ 0.646429 0.5 0.094857 ] [ 0.5 0 0.5 ] [ 0.353571 0.5 0.905143 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Hf" "Hf" "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" 9.61867417 "source-unit" "angstrom" } "b" { "source-value" 4.18035965 "source-unit" "angstrom" } "c" { "source-value" 3.16229706 "source-unit" "angstrom" } "beta" { "source-value" 102.04568028 "source-unit" "degree" } }