{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.800663 0.601492 0.601541 ] [ 0.599352 0.198641 0.198457 ] [ 0 0.5 0 ] [ 0.800569 0.099668 0.601588 ] [ 0.199337 0.398508 0.398459 ] [ 0.601525 0.700962 0.199125 ] [ 0.398475 0.299038 0.800875 ] [ 0.199431 0.900332 0.398412 ] [ 0.400648 0.801359 0.801543 ] [ 0 0 0 ] [ 0.850066 0.324907 0.450307 ] [ 0.647674 0.924316 0.050597 ] [ 0.449851 0.524657 0.649996 ] [ 0.949619 0.773493 0.151167 ] [ 0.850254 0.825342 0.450127 ] [ 0.749506 0.374784 0.749948 ] [ 0.251556 0.12589 0.251847 ] [ 0.649551 0.425127 0.049752 ] [ 0.949866 0.277029 0.151228 ] [ 0.449707 0.025144 0.649722 ] [ 0.550293 0.974856 0.350278 ] [ 0.050134 0.722971 0.848772 ] [ 0.748444 0.87411 0.748153 ] [ 0.250494 0.625216 0.250052 ] [ 0.350449 0.574873 0.950248 ] [ 0.050381 0.226507 0.848833 ] [ 0.550149 0.475343 0.350004 ] [ 0.149746 0.174658 0.549873 ] [ 0.352326 0.075684 0.949403 ] [ 0.149934 0.675093 0.549693 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Y" "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" 6.67562902 "source-unit" "angstrom" } "b" { "source-value" 7.71143587 "source-unit" "angstrom" } "c" { "source-value" 8.63168989 "source-unit" "angstrom" } "alpha" { "source-value" 102.85717978 "source-unit" "degree" } "beta" { "source-value" 97.52752867 "source-unit" "degree" } "gamma" { "source-value" 106.63327389 "source-unit" "degree" } }