{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.750197 ] [ 0 0.5 0.000197 ] [ 0.5 0.5 0.250197 ] [ 0.5 0 0.500197 ] [ 0 0 0.16833 ] [ 0.5 0 0.91833 ] [ 0.5 0.5 0.66833 ] [ 0 0.5 0.41833 ] [ 0.5 0 0.085473 ] [ 0.5 0.5 0.835473 ] [ 0 0.5 0.585473 ] [ 0 0 0.335473 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01088459805 "source-unit" "angstrom" } "c" { "source-value" 14.0557472149 "source-unit" "angstrom" } }