{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.062817 0.146093 ] [ 0.25 0.562817 0.353907 ] [ 0.25 0.447138 0.924547 ] [ 0.75 0.947138 0.575453 ] [ 0.25 0.937183 0.853907 ] [ 0.75 0.437183 0.646093 ] [ 0.25 0.052862 0.424547 ] [ 0.75 0.552862 0.075453 ] [ 0.25 0.769235 0.193661 ] [ 0.75 0.125953 0.967266 ] [ 0.25 0.625953 0.532734 ] [ 0.25 0.357991 0.185351 ] [ 0.75 0.269235 0.306339 ] [ 0.25 0.142009 0.685351 ] [ 0.75 0.374047 0.467266 ] [ 0.75 0.642009 0.814649 ] [ 0.75 0.230765 0.806339 ] [ 0.75 0.857991 0.314649 ] [ 0.25 0.874047 0.032734 ] [ 0.25 0.730765 0.693661 ] [ 0.25 0.238879 0.531789 ] [ 0.25 0.434149 0.788949 ] [ 0.25 0.261121 0.031789 ] [ 0.25 0.065851 0.288949 ] [ 0.75 0.738879 0.968211 ] [ 0.75 0.934149 0.711051 ] [ 0.75 0.565851 0.211051 ] [ 0.75 0.761121 0.468211 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.7090345619 "source-unit" "angstrom" } "b" { "source-value" 7.52404517836 "source-unit" "angstrom" } "c" { "source-value" 17.7135552864 "source-unit" "angstrom" } }