{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1" } "basis-atom-coordinates" { "source-value" [ [ 0.647638 0.697652 0.619192 ] [ 0.697652 0.852362 0.369192 ] [ 0.302348 0.147638 0.369192 ] [ 0.352362 0.302348 0.619192 ] [ 0.091359 0.053425 0.350582 ] [ 0.553425 0.908641 0.600582 ] [ 0.446575 0.091359 0.600582 ] [ 0.908641 0.946575 0.350582 ] [ 0.499249 0.271148 0.383393 ] [ 0.271148 0.000751 0.133393 ] [ 0.728852 0.999249 0.133393 ] [ 0.500751 0.728852 0.383393 ] [ 0.439024 0.583617 0.156561 ] [ 0.583617 0.060976 0.906561 ] [ 0.416383 0.939024 0.906561 ] [ 0.560976 0.416383 0.156561 ] [ 0.349442 0.785084 0.136308 ] [ 0.785084 0.150558 0.886308 ] [ 0.214916 0.849442 0.886308 ] [ 0.650558 0.214916 0.136308 ] [ 0.910827 0.024878 0.017902 ] [ 0.524878 0.089173 0.267902 ] [ 0.475122 0.910827 0.267902 ] [ 0.089173 0.975122 0.017902 ] [ 0.147638 0.197652 0.119192 ] [ 0.197652 0.352362 0.869192 ] [ 0.802348 0.647638 0.869192 ] [ 0.852362 0.802348 0.119192 ] [ 0.591359 0.553425 0.850582 ] [ 0.053425 0.408641 0.100582 ] [ 0.946575 0.591359 0.100582 ] [ 0.408641 0.446575 0.850582 ] [ 0.999249 0.771148 0.883393 ] [ 0.771148 0.500751 0.633393 ] [ 0.228852 0.499249 0.633393 ] [ 0.000751 0.228852 0.883393 ] [ 0.939024 0.083617 0.656561 ] [ 0.083617 0.560976 0.406561 ] [ 0.916383 0.439024 0.406561 ] [ 0.060976 0.916383 0.656561 ] [ 0.849442 0.285084 0.636308 ] [ 0.285084 0.650558 0.386308 ] [ 0.714916 0.349442 0.386308 ] [ 0.150558 0.714916 0.636308 ] [ 0.410827 0.524878 0.517902 ] [ 0.024878 0.589173 0.767902 ] [ 0.975122 0.410827 0.767902 ] [ 0.589173 0.475122 0.517902 ] [ 0.401246 0.227468 0.004548 ] [ 0.227468 0.098754 0.754548 ] [ 0.772532 0.901246 0.754548 ] [ 0.598754 0.772532 0.004548 ] [ 0.280159 0.901415 0.504319 ] [ 0.401415 0.719841 0.754319 ] [ 0.598585 0.280159 0.754319 ] [ 0.719841 0.098585 0.504319 ] [ 0.901246 0.727468 0.504548 ] [ 0.727468 0.598754 0.254548 ] [ 0.272532 0.401246 0.254548 ] [ 0.098754 0.272532 0.504548 ] [ 0.780159 0.401415 0.004319 ] [ 0.901415 0.219841 0.254319 ] [ 0.098585 0.780159 0.254319 ] [ 0.219841 0.598585 0.004319 ] [ 0.453854 0.705235 0.018795 ] [ 0.705235 0.046146 0.768795 ] [ 0.294765 0.953854 0.768795 ] [ 0.546146 0.294765 0.018795 ] [ 0.463811 0.590786 0.71882 ] [ 0.590786 0.036189 0.46882 ] [ 0.409214 0.963811 0.46882 ] [ 0.536189 0.409214 0.71882 ] [ 0.900596 0.965983 0.796377 ] [ 0.465983 0.099404 0.046377 ] [ 0.534017 0.900596 0.046377 ] [ 0.099404 0.034017 0.796377 ] [ 0.252653 0.871778 0.256623 ] [ 0.371778 0.747347 0.506623 ] [ 0.628222 0.252653 0.506623 ] [ 0.747347 0.128222 0.256623 ] [ 0.25833 0.127757 0.001892 ] [ 0.627757 0.74167 0.251892 ] [ 0.372243 0.25833 0.251892 ] [ 0.74167 0.872243 0.001892 ] [ 0.217802 0.046821 0.485745 ] [ 0.546821 0.782198 0.735745 ] [ 0.453179 0.217802 0.735745 ] [ 0.782198 0.953179 0.485745 ] [ 0.953854 0.205235 0.518795 ] [ 0.205235 0.546146 0.268795 ] [ 0.794765 0.453854 0.268795 ] [ 0.046146 0.794765 0.518795 ] [ 0.963811 0.090786 0.21882 ] [ 0.090786 0.536189 0.96882 ] [ 0.909214 0.463811 0.96882 ] [ 0.036189 0.909214 0.21882 ] [ 0.400596 0.465983 0.296377 ] [ 0.965983 0.599404 0.546377 ] [ 0.034017 0.400596 0.546377 ] [ 0.599404 0.534017 0.296377 ] [ 0.752653 0.371778 0.756623 ] [ 0.871778 0.247347 0.006623 ] [ 0.128222 0.752653 0.006623 ] [ 0.247347 0.628222 0.756623 ] [ 0.75833 0.627757 0.501892 ] [ 0.127757 0.24167 0.751892 ] [ 0.872243 0.75833 0.751892 ] [ 0.24167 0.372243 0.501892 ] [ 0.717802 0.546821 0.985745 ] [ 0.046821 0.282198 0.235745 ] [ 0.953179 0.717802 0.235745 ] [ 0.282198 0.453179 0.985745 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 14.4707109739 "source-unit" "angstrom" } "c" { "source-value" 8.9072295112 "source-unit" "angstrom" } }