{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.175879 0.675879 0 ] [ 0.324121 0.175879 0 ] [ 0.824121 0.324121 0 ] [ 0.5 0.5 0 ] [ 0.675879 0.824121 0 ] [ 0 0 0 ] [ 0.380727 0.880727 0 ] [ 0.119273 0.380727 0 ] [ 0.880727 0.619273 0 ] [ 0.619273 0.119273 0 ] [ 0.220032 0.92737 0.5 ] [ 0.92737 0.779968 0.5 ] [ 0.42737 0.720032 0.5 ] [ 0.57263 0.279968 0.5 ] [ 0.720032 0.57263 0.5 ] [ 0.279968 0.42737 0.5 ] [ 0.07263 0.220032 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.779968 0.07263 0.5 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.28296059 "source-unit" "angstrom" } "c" { "source-value" 3.39401921 "source-unit" "angstrom" } }