{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.229354 0.914784 ] [ 0 0.770646 0.414784 ] [ 0 0.770646 0.085216 ] [ 0 0.229354 0.585216 ] [ 0.5 0.204514 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.795486 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.766587 0.99007 ] [ 0.5 0.766587 0.50993 ] [ 0.5 0.233413 0.00993 ] [ 0.5 0.233413 0.49007 ] [ 0 0.041648 0.75 ] [ 0 0.958352 0.25 ] [ 0 0.558551 0.25 ] [ 0 0.441449 0.75 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.09464712 "source-unit" "angstrom" } "b" { "source-value" 9.03609932 "source-unit" "angstrom" } "c" { "source-value" 10.15795507 "source-unit" "angstrom" } }