{ "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" [ [ 0.75 0.222649 0.97363 ] [ 0.25 0.777351 0.02637 ] [ 0.75 0.722649 0.52637 ] [ 0.25 0.277351 0.47363 ] [ 0.75 0.285595 0.63305 ] [ 0.25 0.714405 0.36695 ] [ 0.75 0.785595 0.86695 ] [ 0.25 0.214405 0.13305 ] [ 0.75 0.28998 0.31171 ] [ 0.25 0.71002 0.68829 ] [ 0.75 0.78998 0.18829 ] [ 0.25 0.21002 0.81171 ] [ 0.75 0.004596 0.729152 ] [ 0.25 0.995404 0.270848 ] [ 0.75 0.504596 0.770848 ] [ 0.25 0.495404 0.229152 ] [ 0.75 0.504516 0.078458 ] [ 0.25 0.495484 0.921542 ] [ 0.75 0.004516 0.421542 ] [ 0.25 0.995484 0.578458 ] [ 0.75 0.141094 0.872022 ] [ 0.25 0.858906 0.127978 ] [ 0.75 0.641094 0.627978 ] [ 0.25 0.358906 0.372022 ] [ 0.75 0.3723 0.524911 ] [ 0.25 0.6277 0.475089 ] [ 0.75 0.8723 0.975089 ] [ 0.25 0.1277 0.024911 ] [ 0.75 0.11741 0.164924 ] [ 0.25 0.88259 0.835076 ] [ 0.75 0.61741 0.335076 ] [ 0.25 0.38259 0.664924 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.96620339 "source-unit" "angstrom" } "b" { "source-value" 6.84150063 "source-unit" "angstrom" } "c" { "source-value" 21.52434084 "source-unit" "angstrom" } }