{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.372777 0.249477 0.866648 ] [ 0.5 0 0.25 ] [ 0.627223 0.750523 0.866648 ] [ 0.250523 0.872777 0.633352 ] [ 0.749477 0.127223 0.633352 ] [ 0.872777 0.749477 0.366648 ] [ 0 0.5 0.75 ] [ 0.127223 0.250523 0.366648 ] [ 0.750523 0.372777 0.133352 ] [ 0.249477 0.627223 0.133352 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.58009 0.680785 0.183705 ] [ 0.819215 0.08009 0.316295 ] [ 0.693583 0.064314 0.958327 ] [ 0.680785 0.41991 0.816295 ] [ 0.564314 0.806417 0.541673 ] [ 0.91991 0.819215 0.683705 ] [ 0.935686 0.693583 0.041673 ] [ 0.806417 0.435686 0.458327 ] [ 0.08009 0.180785 0.683705 ] [ 0.319215 0.58009 0.816295 ] [ 0.193583 0.564314 0.458327 ] [ 0.180785 0.91991 0.316295 ] [ 0.064314 0.306417 0.041673 ] [ 0.41991 0.319215 0.183705 ] [ 0.435686 0.193583 0.541673 ] [ 0.306417 0.935686 0.958327 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.75980736 "source-unit" "angstrom" } "c" { "source-value" 9.07715296 "source-unit" "angstrom" } }