{ "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 0.795773 0.5 ] [ 0 0.739113 0 ] [ 0.363978 0 0.643535 ] [ 0.636022 0 0.356465 ] [ 0 0.260887 0 ] [ 0 0.204227 0.5 ] [ 0.5 0.295773 0.5 ] [ 0.5 0.239113 0 ] [ 0.863978 0.5 0.643535 ] [ 0.136022 0.5 0.356465 ] [ 0.5 0.760887 0 ] [ 0.5 0.704227 0.5 ] [ 0.176283 0 0.14882 ] [ 0.823717 0 0.85118 ] [ 0.676283 0.5 0.14882 ] [ 0.323717 0.5 0.85118 ] [ 0.304339 0.138339 0.267442 ] [ 0.101698 0 0.844422 ] [ 0.695661 0.138339 0.732558 ] [ 0.304339 0.861661 0.267442 ] [ 0.898302 0 0.155578 ] [ 0.695661 0.861661 0.732558 ] [ 0.804339 0.638339 0.267442 ] [ 0.601698 0.5 0.844422 ] [ 0.195661 0.638339 0.732558 ] [ 0.804339 0.361661 0.267442 ] [ 0.398302 0.5 0.155578 ] [ 0.195661 0.361661 0.732558 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Er" "Er" "Er" "Er" "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" 7.72656544 "source-unit" "angstrom" } "b" { "source-value" 12.39043869 "source-unit" "angstrom" } "c" { "source-value" 7.23968552 "source-unit" "angstrom" } "beta" { "source-value" 99.20302635 "source-unit" "degree" } }