{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.068405 0.75 ] [ 0 0.931595 0.25 ] [ 0.5 0.568405 0.75 ] [ 0.5 0.431595 0.25 ] [ 0.5 0.856392 0.549919 ] [ 0.5 0.143608 0.450081 ] [ 0.5 0.856392 0.950081 ] [ 0.5 0.143608 0.049919 ] [ 0 0.356392 0.549919 ] [ 0 0.643608 0.450081 ] [ 0 0.356392 0.950081 ] [ 0 0.643608 0.049919 ] [ 0 0.216706 0.25 ] [ 0 0.783294 0.75 ] [ 0.5 0.716706 0.25 ] [ 0.5 0.283294 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "In" "In" "In" "In" "In" "In" "In" "In" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.38685699 "source-unit" "angstrom" } "b" { "source-value" 10.1012906 "source-unit" "angstrom" } "c" { "source-value" 8.22432741 "source-unit" "angstrom" } }