{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.497862 0.75 0.887518 ] [ 0.002138 0.75 0.887518 ] [ 0.25 0.997862 0.612482 ] [ 0.502138 0.25 0.112482 ] [ 0.997862 0.25 0.112482 ] [ 0.75 0.002138 0.387518 ] [ 0.75 0.497862 0.387518 ] [ 0.25 0.502138 0.612482 ] [ 0.25 0.076783 0.908235 ] [ 0.423217 0.25 0.408235 ] [ 0.076783 0.25 0.408235 ] [ 0.75 0.923217 0.091765 ] [ 0.75 0.576783 0.091765 ] [ 0.25 0.423217 0.908235 ] [ 0.576783 0.75 0.591765 ] [ 0.923217 0.75 0.591765 ] ] } "species" { "source-value" [ "Ce" "Ce" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.04371942 "source-unit" "angstrom" } "c" { "source-value" 7.03329005 "source-unit" "angstrom" } }