{ "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 0.653239 0.058986 ] [ 0.75 0.346761 0.941014 ] [ 0.25 0.153239 0.441014 ] [ 0.75 0.846761 0.558986 ] [ 0.25 0.527243 0.279542 ] [ 0.75 0.472757 0.720458 ] [ 0.25 0.027243 0.220458 ] [ 0.75 0.972757 0.779542 ] [ 0.25 0.644409 0.850045 ] [ 0.75 0.355591 0.149955 ] [ 0.25 0.144409 0.649955 ] [ 0.75 0.855591 0.350045 ] [ 0.25 0.50539 0.56205 ] [ 0.75 0.49461 0.43795 ] [ 0.25 0.00539 0.93795 ] [ 0.75 0.99461 0.06205 ] [ 0.75 0.779468 0.92678 ] [ 0.25 0.220532 0.07322 ] [ 0.75 0.279468 0.57322 ] [ 0.25 0.720532 0.42678 ] [ 0.75 0.23568 0.318078 ] [ 0.25 0.76432 0.681922 ] [ 0.75 0.73568 0.181922 ] [ 0.25 0.26432 0.818078 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.2100161 "source-unit" "angstrom" } "b" { "source-value" 7.12403758 "source-unit" "angstrom" } "c" { "source-value" 15.87366652 "source-unit" "angstrom" } }