{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.566069 0.344426 0.341071 ] [ 0.063204 0.17866 0.046163 ] [ 0.563204 0.32134 0.953837 ] [ 0.436796 0.67866 0.453837 ] [ 0.936796 0.82134 0.546163 ] [ 0.936796 0.82134 0.953837 ] [ 0.436796 0.67866 0.046163 ] [ 0.563204 0.32134 0.546163 ] [ 0.069802 0.493768 0.159251 ] [ 0.569802 0.006232 0.840749 ] [ 0.430198 0.993768 0.340749 ] [ 0.930198 0.506232 0.659251 ] [ 0.930198 0.506232 0.840749 ] [ 0.430198 0.993768 0.159251 ] [ 0.569802 0.006232 0.659251 ] [ 0.069802 0.493768 0.340749 ] [ 0.063204 0.17866 0.453837 ] [ 0.066069 0.155574 0.841071 ] [ 0.933931 0.844426 0.341071 ] [ 0.433931 0.655574 0.658929 ] [ 0.433931 0.655574 0.841071 ] [ 0.933931 0.844426 0.158929 ] [ 0.066069 0.155574 0.658929 ] [ 0.566069 0.344426 0.158929 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.002545 0.830499 0.75 ] [ 0.502545 0.669501 0.25 ] [ 0.497455 0.330499 0.75 ] [ 0.997455 0.169501 0.25 ] [ 0.790376 0.771298 0.827903 ] [ 0.8267 0.384774 0.431105 ] [ 0.3267 0.115226 0.568895 ] [ 0.6733 0.884774 0.068895 ] [ 0.283227 0.435322 0.451686 ] [ 0.1733 0.615226 0.568895 ] [ 0.6733 0.884774 0.431105 ] [ 0.3267 0.115226 0.931105 ] [ 0.854971 0.361862 0.25 ] [ 0.354971 0.138138 0.75 ] [ 0.645029 0.861862 0.25 ] [ 0.145029 0.638138 0.75 ] [ 0.141267 0.976517 0.25 ] [ 0.641267 0.523483 0.75 ] [ 0.358733 0.476517 0.25 ] [ 0.858733 0.023483 0.75 ] [ 0.209624 0.228702 0.172097 ] [ 0.709624 0.271298 0.827903 ] [ 0.290376 0.728702 0.327903 ] [ 0.790376 0.771298 0.672097 ] [ 0.1733 0.615226 0.931105 ] [ 0.290376 0.728702 0.172097 ] [ 0.709624 0.271298 0.672097 ] [ 0.209624 0.228702 0.327903 ] [ 0.795541 0.110125 0.172166 ] [ 0.295541 0.389875 0.827834 ] [ 0.704459 0.610125 0.327834 ] [ 0.204459 0.889875 0.672166 ] [ 0.204459 0.889875 0.827834 ] [ 0.704459 0.610125 0.172166 ] [ 0.295541 0.389875 0.672166 ] [ 0.795541 0.110125 0.327834 ] [ 0.004039 0.669467 0.061766 ] [ 0.504039 0.830533 0.938234 ] [ 0.495961 0.169467 0.438234 ] [ 0.995961 0.330533 0.561766 ] [ 0.995961 0.330533 0.938234 ] [ 0.495961 0.169467 0.061766 ] [ 0.504039 0.830533 0.561766 ] [ 0.004039 0.669467 0.438234 ] [ 0.283227 0.435322 0.048314 ] [ 0.783227 0.064678 0.951686 ] [ 0.216773 0.935322 0.451686 ] [ 0.716773 0.564678 0.548314 ] [ 0.716773 0.564678 0.951686 ] [ 0.216773 0.935322 0.048314 ] [ 0.783227 0.064678 0.548314 ] [ 0.8267 0.384774 0.068895 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.65541935 "source-unit" "angstrom" } "b" { "source-value" 13.66525232 "source-unit" "angstrom" } "c" { "source-value" 27.33745973 "source-unit" "angstrom" } }