{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.370149 0.650099 ] [ 0 0.629851 0.349901 ] [ 0 0.870149 0.849901 ] [ 0 0.129851 0.150099 ] [ 0 0.362094 0.910278 ] [ 0 0.637906 0.089722 ] [ 0 0.862094 0.589722 ] [ 0 0.137906 0.410278 ] [ 0.5 0.025842 0.693371 ] [ 0.5 0.974158 0.306629 ] [ 0.5 0.525842 0.806629 ] [ 0.5 0.474158 0.193371 ] [ 0.5 0.114241 0.547424 ] [ 0.5 0.885759 0.452576 ] [ 0.5 0.614241 0.952576 ] [ 0.5 0.385759 0.047424 ] [ 0.5 0.29123 0.312577 ] [ 0.5 0.70877 0.687423 ] [ 0.5 0.79123 0.187423 ] [ 0.5 0.20877 0.812577 ] [ 0.5 0.367429 0.469405 ] [ 0.5 0.632571 0.530595 ] [ 0.5 0.867429 0.030595 ] [ 0.5 0.132571 0.969405 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Al" "Al" "Al" "Al" "B" "B" "B" "B" "B" "B" "B" "B" "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" 3.51211738 "source-unit" "angstrom" } "b" { "source-value" 5.90125786 "source-unit" "angstrom" } "c" { "source-value" 11.43137345 "source-unit" "angstrom" } }