{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.12456 0.262948 ] [ 0 0.616238 0.040254 ] [ 0 0.383762 0.959746 ] [ 0 0.37544 0.762948 ] [ 0.5 0.116238 0.459746 ] [ 0 0.62456 0.237052 ] [ 0.5 0.87544 0.737052 ] [ 0.5 0.883762 0.540254 ] [ 0.5 0.427859 0.137978 ] [ 0 0.072141 0.637978 ] [ 0 0.689992 0.6305 ] [ 0.5 0.810008 0.1305 ] [ 0.5 0.189992 0.8695 ] [ 0 0.310008 0.3695 ] [ 0.5 0.572141 0.862022 ] [ 0 0.927859 0.362022 ] [ 0.5 0.62081 0.388834 ] [ 0 0.12081 0.111166 ] [ 0 0.87919 0.888834 ] [ 0.5 0.37919 0.611166 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" 3.25741476 "source-unit" "angstrom" } "b" { "source-value" 7.41216138 "source-unit" "angstrom" } "c" { "source-value" 9.45572265 "source-unit" "angstrom" } }