{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fmm2" } "basis-atom-coordinates" { "source-value" [ [ 0.17272 0.864113 0.820979 ] [ 0.82728 0.864113 0.179021 ] [ 0.17272 0.864113 0.179021 ] [ 0.82728 0.864113 0.820979 ] [ 0.330481 0.159804 0.819063 ] [ 0.669519 0.159804 0.180937 ] [ 0.830481 0.659804 0.180937 ] [ 0.169519 0.659804 0.819063 ] [ 0.668042 0.999969 0.917839 ] [ 0.331958 0.999969 0.082161 ] [ 0.668042 0.999969 0.082161 ] [ 0.331958 0.999969 0.917839 ] [ 0.17272 0.364113 0.320979 ] [ 0.82728 0.364113 0.679021 ] [ 0.17272 0.364113 0.679021 ] [ 0.82728 0.364113 0.320979 ] [ 0.330481 0.659804 0.319063 ] [ 0.669519 0.659804 0.680937 ] [ 0.830481 0.159804 0.680937 ] [ 0.169519 0.159804 0.319063 ] [ 0.668042 0.499969 0.417839 ] [ 0.331958 0.499969 0.582161 ] [ 0.668042 0.499969 0.582161 ] [ 0.331958 0.499969 0.417839 ] [ 0.67272 0.364113 0.820979 ] [ 0.32728 0.364113 0.179021 ] [ 0.67272 0.364113 0.179021 ] [ 0.32728 0.364113 0.820979 ] [ 0.830481 0.659804 0.819063 ] [ 0.169519 0.659804 0.180937 ] [ 0.330481 0.159804 0.180937 ] [ 0.669519 0.159804 0.819063 ] [ 0.168042 0.499969 0.917839 ] [ 0.831958 0.499969 0.082161 ] [ 0.168042 0.499969 0.082161 ] [ 0.831958 0.499969 0.917839 ] [ 0.67272 0.864113 0.320979 ] [ 0.32728 0.864113 0.679021 ] [ 0.67272 0.864113 0.679021 ] [ 0.32728 0.864113 0.320979 ] [ 0.830481 0.159804 0.319063 ] [ 0.169519 0.159804 0.680937 ] [ 0.330481 0.659804 0.680937 ] [ 0.669519 0.659804 0.319063 ] [ 0.168042 0.999969 0.417839 ] [ 0.831958 0.999969 0.582161 ] [ 0.168042 0.999969 0.582161 ] [ 0.831958 0.999969 0.417839 ] [ 0.75 0.39653 0.25 ] [ 0.75 0.89653 0.25 ] [ 0.283205 0.261206 0.836442 ] [ 0.716795 0.261206 0.163558 ] [ 0.783205 0.761206 0.163558 ] [ 0.216795 0.761206 0.836442 ] [ 0.207414 0.59608 0.883965 ] [ 0.792586 0.59608 0.116035 ] [ 0.707414 0.09608 0.116035 ] [ 0.292586 0.09608 0.883965 ] [ 0.229818 0.924558 0.884227 ] [ 0.770182 0.924558 0.115773 ] [ 0.229818 0.924558 0.115773 ] [ 0.770182 0.924558 0.884227 ] [ 0.75 0.62469 0.25 ] [ 0.75 0.12469 0.25 ] [ 0.5 0.156816 0.803476 ] [ 0.5 0.156816 0.196524 ] [ 0.698318 0.004493 0 ] [ 0.301682 0.004493 0 ] [ 0 0.873693 0.813472 ] [ 0 0.873693 0.186528 ] [ 0.5 0.976118 0.903516 ] [ 0.5 0.976118 0.096484 ] [ 0.75 0.89653 0.75 ] [ 0.75 0.39653 0.75 ] [ 0.283205 0.761206 0.336442 ] [ 0.716795 0.761206 0.663558 ] [ 0.783205 0.261206 0.663558 ] [ 0.216795 0.261206 0.336442 ] [ 0.207414 0.09608 0.383965 ] [ 0.792586 0.09608 0.616035 ] [ 0.707414 0.59608 0.616035 ] [ 0.292586 0.59608 0.383965 ] [ 0.229818 0.424558 0.384227 ] [ 0.770182 0.424558 0.615773 ] [ 0.229818 0.424558 0.615773 ] [ 0.770182 0.424558 0.384227 ] [ 0.75 0.12469 0.75 ] [ 0.75 0.62469 0.75 ] [ 0.5 0.656816 0.303476 ] [ 0.5 0.656816 0.696524 ] [ 0.698318 0.504493 0.5 ] [ 0.301682 0.504493 0.5 ] [ 0 0.373693 0.313472 ] [ 0 0.373693 0.686528 ] [ 0.5 0.476118 0.403516 ] [ 0.5 0.476118 0.596484 ] [ 0.25 0.89653 0.25 ] [ 0.25 0.39653 0.25 ] [ 0.783205 0.761206 0.836442 ] [ 0.216795 0.761206 0.163558 ] [ 0.283205 0.261206 0.163558 ] [ 0.716795 0.261206 0.836442 ] [ 0.707414 0.09608 0.883965 ] [ 0.292586 0.09608 0.116035 ] [ 0.207414 0.59608 0.116035 ] [ 0.792586 0.59608 0.883965 ] [ 0.729818 0.424558 0.884227 ] [ 0.270182 0.424558 0.115773 ] [ 0.729818 0.424558 0.115773 ] [ 0.270182 0.424558 0.884227 ] [ 0.25 0.12469 0.25 ] [ 0.25 0.62469 0.25 ] [ 0 0.656816 0.803476 ] [ 0 0.656816 0.196524 ] [ 0.198318 0.504493 0 ] [ 0.801682 0.504493 0 ] [ 0.5 0.373693 0.813472 ] [ 0.5 0.373693 0.186528 ] [ 0 0.476118 0.903516 ] [ 0 0.476118 0.096484 ] [ 0.25 0.39653 0.75 ] [ 0.25 0.89653 0.75 ] [ 0.783205 0.261206 0.336442 ] [ 0.216795 0.261206 0.663558 ] [ 0.283205 0.761206 0.663558 ] [ 0.716795 0.761206 0.336442 ] [ 0.707414 0.59608 0.383965 ] [ 0.292586 0.59608 0.616035 ] [ 0.207414 0.09608 0.616035 ] [ 0.792586 0.09608 0.383965 ] [ 0.729818 0.924558 0.384227 ] [ 0.270182 0.924558 0.615773 ] [ 0.729818 0.924558 0.615773 ] [ 0.270182 0.924558 0.384227 ] [ 0.25 0.62469 0.75 ] [ 0.25 0.12469 0.75 ] [ 0 0.156816 0.303476 ] [ 0 0.156816 0.696524 ] [ 0.198318 0.004493 0.5 ] [ 0.801682 0.004493 0.5 ] [ 0.5 0.873693 0.313472 ] [ 0.5 0.873693 0.686528 ] [ 0 0.976118 0.403516 ] [ 0 0.976118 0.596484 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" "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" "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" 9.34300757 "source-unit" "angstrom" } "b" { "source-value" 15.09576913 "source-unit" "angstrom" } "c" { "source-value" 19.37494822 "source-unit" "angstrom" } }