{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.631139 0.500572 0.268987 ] [ 0.368861 0.000572 0.731013 ] [ 0.881974 0.790274 0.731836 ] [ 0.118026 0.290274 0.268164 ] [ 0.546676 0.689637 0.060658 ] [ 0.453324 0.189637 0.939342 ] [ 0.199459 0.682172 0.403467 ] [ 0.800541 0.182172 0.596533 ] [ 0.520826 0.523954 0.957674 ] [ 0.479174 0.023954 0.042326 ] [ 0.089905 0.810845 0.174805 ] [ 0.910095 0.310845 0.825195 ] [ 0.265389 0.511478 0.514208 ] [ 0.734611 0.011478 0.485792 ] [ 0.334731 0.649322 0.706639 ] [ 0.665269 0.149322 0.293361 ] [ 0.468005 0.853348 0.950256 ] [ 0.531995 0.353348 0.049744 ] [ 0.957391 0.620182 0.861325 ] [ 0.042609 0.120182 0.138675 ] [ 0.709464 0.81911 0.406277 ] [ 0.290536 0.31911 0.593723 ] [ 0.958003 0.940159 0.934814 ] [ 0.041997 0.440159 0.065186 ] [ 0.320718 0.863857 0.533189 ] [ 0.679282 0.363857 0.466811 ] [ 0.174722 0.960842 0.253183 ] [ 0.825278 0.460842 0.746817 ] [ 0.552067 0.554382 0.045802 ] [ 0.447933 0.054382 0.954198 ] [ 0.64474 0.636329 0.286366 ] [ 0.35526 0.136329 0.713634 ] [ 0.100522 0.751647 0.182336 ] [ 0.899478 0.251647 0.817664 ] [ 0.190501 0.536689 0.420373 ] [ 0.809499 0.036689 0.579627 ] [ 0.335536 0.69807 0.650934 ] [ 0.664464 0.19807 0.349066 ] [ 0.464041 0.80022 0.907574 ] [ 0.535959 0.30022 0.092426 ] [ 0.97259 0.674153 0.902289 ] [ 0.02741 0.174153 0.097711 ] [ 0.744639 0.771708 0.467546 ] [ 0.255361 0.271708 0.532454 ] [ 0.91595 0.931921 0.831437 ] [ 0.08405 0.431921 0.168563 ] [ 0.342053 0.868412 0.636474 ] [ 0.657947 0.368412 0.363526 ] [ 0.042965 0.918948 0.143681 ] [ 0.957035 0.418948 0.856319 ] [ 0.065235 0.032083 0.265332 ] [ 0.934765 0.532083 0.734668 ] [ 0.416456 0.930686 0.350706 ] [ 0.583544 0.430686 0.649294 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "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" 3.66030241 "source-unit" "angstrom" } "b" { "source-value" 16.66607822 "source-unit" "angstrom" } "c" { "source-value" 9.47365204 "source-unit" "angstrom" } "beta" { "source-value" 99.94350232 "source-unit" "degree" } }