{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.752887 0 ] [ 0.756949 0 0.5 ] [ 0.243051 0 0.5 ] [ 0 0.247113 0 ] [ 0.5 0.252887 0 ] [ 0.256949 0.5 0.5 ] [ 0.743051 0.5 0.5 ] [ 0.5 0.747113 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Mn" "Mn" "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" 6.70788609 "source-unit" "angstrom" } "b" { "source-value" 9.50426688 "source-unit" "angstrom" } "c" { "source-value" 3.37117577 "source-unit" "angstrom" } }