{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.36371 0.741938 0.75 ] [ 0.36371 0.758062 0.25 ] [ 0.63629 0.241938 0.75 ] [ 0.63629 0.258062 0.25 ] [ 0.155922 0.396721 0.402298 ] [ 0.155922 0.103279 0.597702 ] [ 0.844078 0.896721 0.097702 ] [ 0.844078 0.603279 0.902298 ] [ 0.844078 0.603279 0.597702 ] [ 0.844078 0.896721 0.402298 ] [ 0.155922 0.103279 0.902298 ] [ 0.155922 0.396721 0.097702 ] [ 0.675362 0.25 0.5 ] [ 0.324638 0.75 0 ] [ 0.324638 0.75 0.5 ] [ 0.675362 0.25 0 ] [ 0.869195 0.892387 0.75 ] [ 0.869195 0.607613 0.25 ] [ 0.130805 0.392387 0.75 ] [ 0.130805 0.107613 0.25 ] [ 0.378738 0.042062 0.406923 ] [ 0.378738 0.457938 0.593077 ] [ 0.621262 0.542062 0.093077 ] [ 0.621262 0.957938 0.906923 ] [ 0.378738 0.042062 0.093077 ] [ 0.378738 0.457938 0.906923 ] [ 0.621262 0.542062 0.406923 ] [ 0.621262 0.957938 0.593077 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 5.60852851 "source-unit" "angstrom" } "b" { "source-value" 8.08132447 "source-unit" "angstrom" } "c" { "source-value" 13.30913072 "source-unit" "angstrom" } }