{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.656173 0.165358 0.058711 ] [ 0.347399 0.541718 0.25 ] [ 0.843827 0.665358 0.058711 ] [ 0.156173 0.334642 0.941289 ] [ 0.343827 0.834642 0.941289 ] [ 0.652601 0.458282 0.75 ] [ 0.847399 0.958282 0.75 ] [ 0.343827 0.834642 0.558711 ] [ 0.156173 0.334642 0.558711 ] [ 0.843827 0.665358 0.441289 ] [ 0.152601 0.041718 0.25 ] [ 0.656173 0.165358 0.441289 ] [ 0.933438 0.362604 0.25 ] [ 0.433438 0.137396 0.75 ] [ 0.566562 0.862604 0.25 ] [ 0.066562 0.637396 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "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" 6.09889459 "source-unit" "angstrom" } "b" { "source-value" 6.96746251 "source-unit" "angstrom" } "c" { "source-value" 9.76127943 "source-unit" "angstrom" } }