{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.232901 0.89945 ] [ 0.75 0.767099 0.10055 ] [ 0.25 0.732901 0.60055 ] [ 0.75 0.267099 0.39945 ] [ 0.75 0.875724 0.403492 ] [ 0.25 0.124276 0.596508 ] [ 0.75 0.375724 0.096508 ] [ 0.25 0.624276 0.903492 ] [ 0.25 0.507107 0.349231 ] [ 0.75 0.492893 0.650769 ] [ 0.25 0.007107 0.150769 ] [ 0.75 0.992893 0.849231 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.86427064 "source-unit" "angstrom" } "b" { "source-value" 5.37777994 "source-unit" "angstrom" } "c" { "source-value" 6.79345654 "source-unit" "angstrom" } }