{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.833784 0.750079 ] [ 0.5 0.166216 0.750079 ] [ 0.5 0.166216 0.249921 ] [ 0.5 0.833784 0.249921 ] [ 0 0.333784 0.250079 ] [ 0 0.666216 0.250079 ] [ 0 0.666216 0.749921 ] [ 0 0.333784 0.749921 ] ] } "species" { "source-value" [ "Hf" "Hf" "Nb" "Nb" "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" 3.13276455 "source-unit" "angstrom" } "b" { "source-value" 5.41532500583 "source-unit" "angstrom" } "c" { "source-value" 6.81923151728 "source-unit" "angstrom" } }