{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.01154 0.17852 0.590884 ] [ 0.83457 0.334574 0.121708 ] [ 0.98846 0.82148 0.090884 ] [ 0.178055 0.526474 0.25 ] [ 0.51154 0.32148 0.909116 ] [ 0.48846 0.67852 0.090884 ] [ 0.16543 0.665426 0.878292 ] [ 0.33457 0.165426 0.378292 ] [ 0.678055 0.973526 0.25 ] [ 0.33457 0.165426 0.121708 ] [ 0.01154 0.17852 0.909116 ] [ 0.48846 0.67852 0.409116 ] [ 0.821945 0.473526 0.75 ] [ 0.51154 0.32148 0.590884 ] [ 0.98846 0.82148 0.409116 ] [ 0.83457 0.334574 0.378292 ] [ 0.66543 0.834574 0.621708 ] [ 0.16543 0.665426 0.621708 ] [ 0.66543 0.834574 0.878292 ] [ 0.321945 0.026474 0.75 ] [ 0.027902 0.121964 0.25 ] [ 0.812911 0.533831 0.960583 ] [ 0.472098 0.621964 0.75 ] [ 0.187089 0.466169 0.460583 ] [ 0.693023 0.14087 0.75 ] [ 0.306977 0.85913 0.25 ] [ 0.972098 0.878036 0.75 ] [ 0.687089 0.033831 0.039417 ] [ 0.312911 0.966169 0.539417 ] [ 0.312911 0.966169 0.960583 ] [ 0.527902 0.378036 0.25 ] [ 0.687089 0.033831 0.460583 ] [ 0.812911 0.533831 0.539417 ] [ 0.806977 0.64087 0.25 ] [ 0.187089 0.466169 0.039417 ] [ 0.193023 0.35913 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "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" 7.35615674 "source-unit" "angstrom" } "b" { "source-value" 7.51594556 "source-unit" "angstrom" } "c" { "source-value" 15.07582118 "source-unit" "angstrom" } }