{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.759436 0.064743 ] [ 0.75 0.240564 0.935257 ] [ 0.25 0.259436 0.435257 ] [ 0.75 0.740564 0.564743 ] [ 0.25 0.400049 0.98431 ] [ 0.75 0.599951 0.01569 ] [ 0.25 0.900049 0.51569 ] [ 0.75 0.099951 0.48431 ] [ 0.994852 0.564524 0.808307 ] [ 0.494852 0.435476 0.191693 ] [ 0.505148 0.064524 0.691693 ] [ 0.005148 0.935476 0.308307 ] [ 0.005148 0.435476 0.191693 ] [ 0.505148 0.564524 0.808307 ] [ 0.494852 0.935476 0.308307 ] [ 0.994852 0.064524 0.691693 ] [ 0.75 0.854069 0.856682 ] [ 0.25 0.145931 0.143318 ] [ 0.75 0.354069 0.643318 ] [ 0.25 0.645931 0.356682 ] [ 0.75 0.182542 0.243929 ] [ 0.25 0.817458 0.756071 ] [ 0.75 0.682542 0.256071 ] [ 0.25 0.317458 0.743929 ] [ 0.75 0.438324 0.405081 ] [ 0.25 0.561676 0.594919 ] [ 0.75 0.938324 0.094919 ] [ 0.25 0.061676 0.905081 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.0264169 "source-unit" "angstrom" } "b" { "source-value" 8.05954689 "source-unit" "angstrom" } "c" { "source-value" 10.09324041 "source-unit" "angstrom" } }