{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.034149 0.735988 ] [ 0.5 0.202849 0.39265 ] [ 0.5 0.797151 0.89265 ] [ 0.5 0.965851 0.235988 ] [ 0 0.534149 0.735988 ] [ 0 0.702849 0.39265 ] [ 0 0.297151 0.89265 ] [ 0 0.465851 0.235988 ] [ 0 0.095969 0.077988 ] [ 0 0.904031 0.577988 ] [ 0.5 0.595969 0.077988 ] [ 0.5 0.404031 0.577988 ] [ 0 0.063331 0.441884 ] [ 0.5 0.175532 0.985848 ] [ 0.5 0.824468 0.485848 ] [ 0 0.936669 0.941884 ] [ 0.5 0.563331 0.441884 ] [ 0 0.675532 0.985848 ] [ 0 0.324468 0.485848 ] [ 0.5 0.436669 0.941884 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.48219974 "source-unit" "angstrom" } "b" { "source-value" 17.09708482 "source-unit" "angstrom" } "c" { "source-value" 7.68813657 "source-unit" "angstrom" } }