{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.240359 0.765735 0.459059 ] [ 0.734231 0.958985 0.77138 ] [ 0.759641 0.765735 0.540941 ] [ 0.265769 0.958985 0.22862 ] [ 0.740359 0.265735 0.459059 ] [ 0.234231 0.458985 0.77138 ] [ 0.259641 0.265735 0.540941 ] [ 0.765769 0.458985 0.22862 ] [ 0 0.991849 0 ] [ 0.248693 0.249395 0.011985 ] [ 0.751307 0.249395 0.988015 ] [ 0.5 0.019604 0.5 ] [ 0.5 0.491849 0 ] [ 0.748693 0.749395 0.011985 ] [ 0.251307 0.749395 0.988015 ] [ 0 0.519604 0.5 ] [ 0.093642 0.186928 0.975889 ] [ 0.599801 0.015086 0.651131 ] [ 0.095173 0.816013 0.971274 ] [ 0.09513 0.695162 0.472304 ] [ 0.710834 0.180224 0.848901 ] [ 0.721397 0.506985 0.511796 ] [ 0.103206 0.006825 0.144867 ] [ 0.789769 0.810311 0.681517 ] [ 0.778975 0.500576 0.975834 ] [ 0.70181 0.792601 0.853793 ] [ 0.90487 0.695162 0.527696 ] [ 0.098231 0.325549 0.48543 ] [ 0.289166 0.180224 0.151099 ] [ 0.221025 0.500576 0.024166 ] [ 0.278603 0.506985 0.488204 ] [ 0.896794 0.006825 0.855133 ] [ 0.29819 0.792601 0.146207 ] [ 0.901769 0.325549 0.51457 ] [ 0.210231 0.810311 0.318483 ] [ 0.906358 0.186928 0.024111 ] [ 0.400199 0.015086 0.348869 ] [ 0.904827 0.816013 0.028726 ] [ 0.593642 0.686928 0.975889 ] [ 0.099801 0.515086 0.651131 ] [ 0.595173 0.316013 0.971274 ] [ 0.59513 0.195162 0.472304 ] [ 0.210834 0.680224 0.848901 ] [ 0.221397 0.006985 0.511796 ] [ 0.603206 0.506825 0.144867 ] [ 0.289769 0.310311 0.681517 ] [ 0.278975 0.000576 0.975834 ] [ 0.20181 0.292601 0.853793 ] [ 0.40487 0.195162 0.527696 ] [ 0.598231 0.825549 0.48543 ] [ 0.789166 0.680224 0.151099 ] [ 0.721025 0.000576 0.024166 ] [ 0.778603 0.006985 0.488204 ] [ 0.396794 0.506825 0.855133 ] [ 0.79819 0.292601 0.146207 ] [ 0.401769 0.825549 0.51457 ] [ 0.710231 0.310311 0.318483 ] [ 0.406358 0.686928 0.024111 ] [ 0.900199 0.515086 0.348869 ] [ 0.404827 0.316013 0.028726 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.74200129 "source-unit" "angstrom" } "b" { "source-value" 7.29933727 "source-unit" "angstrom" } "c" { "source-value" 13.95074185 "source-unit" "angstrom" } "beta" { "source-value" 113.49013632 "source-unit" "degree" } }