{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.157537 0.555869 0.841053 ] [ 0.657537 0.444131 0.341053 ] [ 0.452852 0.562102 0.129801 ] [ 0.952852 0.437898 0.629801 ] [ 0.130286 0.007219 0.392241 ] [ 0.630286 0.992781 0.892241 ] [ 0.180878 0.89308 0.008723 ] [ 0.680878 0.10692 0.508723 ] [ 0.962258 0.106933 0.599016 ] [ 0.594547 0.361153 0.527043 ] [ 0.860731 0.658965 0.476175 ] [ 0.806346 0.608644 0.751261 ] [ 0.750223 0.37633 0.174682 ] [ 0.871393 0.360922 0.802653 ] [ 0.371393 0.639078 0.302653 ] [ 0.1645 0.893962 0.848736 ] [ 0.52768 0.923416 0.553758 ] [ 0.094547 0.638847 0.027043 ] [ 0.250223 0.62367 0.674682 ] [ 0.515807 0.547658 0.945707 ] [ 0.462258 0.893067 0.099016 ] [ 0.294531 0.372739 0.718472 ] [ 0.794531 0.627261 0.218472 ] [ 0.360731 0.341035 0.976175 ] [ 0.306346 0.391356 0.251261 ] [ 0.6645 0.106038 0.348736 ] [ 0.015807 0.452342 0.445707 ] [ 0.02768 0.076584 0.053758 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Tl" "Tl" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.25842267225 "source-unit" "angstrom" } "b" { "source-value" 7.74367047 "source-unit" "angstrom" } "c" { "source-value" 13.0849591469 "source-unit" "angstrom" } "beta" { "source-value" 105.272194346 "source-unit" "degree" } }