{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.672536 0.177918 0.062953 ] [ 0.172536 0.322082 0.937047 ] [ 0.827464 0.677918 0.437047 ] [ 0.327464 0.822082 0.562953 ] [ 0.327464 0.822082 0.937047 ] [ 0.827464 0.677918 0.062953 ] [ 0.172536 0.322082 0.562953 ] [ 0.672536 0.177918 0.437047 ] [ 0.865047 0.964929 0.75 ] [ 0.365047 0.535071 0.25 ] [ 0.634953 0.464929 0.75 ] [ 0.134953 0.035071 0.25 ] [ 0.052323 0.615936 0.75 ] [ 0.552323 0.884064 0.25 ] [ 0.447677 0.115936 0.75 ] [ 0.947677 0.384064 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.26177233 "source-unit" "angstrom" } "b" { "source-value" 7.11763516 "source-unit" "angstrom" } "c" { "source-value" 9.35307116 "source-unit" "angstrom" } }