{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.713029 0.117461 0.25 ] [ 0 0.106778 0.75 ] [ 0.713029 0.882539 0.75 ] [ 0 0.893222 0.25 ] [ 0.286971 0.882539 0.75 ] [ 0.286971 0.117461 0.25 ] [ 0.213029 0.617461 0.25 ] [ 0.5 0.606778 0.75 ] [ 0.213029 0.382539 0.75 ] [ 0.5 0.393222 0.25 ] [ 0.786971 0.382539 0.75 ] [ 0.786971 0.617461 0.25 ] [ 0 0.695795 0.75 ] [ 0 0.304205 0.25 ] [ 0.5 0.195795 0.75 ] [ 0.5 0.804205 0.25 ] [ 0.691848 0.126162 0.75 ] [ 0 0.126978 0.25 ] [ 0 0.873022 0.75 ] [ 0.691848 0.873838 0.25 ] [ 0.308152 0.873838 0.25 ] [ 0.308152 0.126162 0.75 ] [ 0.191848 0.626162 0.75 ] [ 0.5 0.626978 0.25 ] [ 0.5 0.373022 0.75 ] [ 0.191848 0.373838 0.25 ] [ 0.808152 0.373838 0.25 ] [ 0.808152 0.626162 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cr" "Cr" "Cr" "Cr" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.43815014 "source-unit" "angstrom" } "b" { "source-value" 10.27972536 "source-unit" "angstrom" } "c" { "source-value" 5.06085273 "source-unit" "angstrom" } }