{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.821357 ] [ 0.666667 0.333333 0.15469 ] [ 0.333333 0.666667 0.488023 ] [ 0 0 0.178643 ] [ 0.666667 0.333333 0.511977 ] [ 0.333333 0.666667 0.84531 ] [ 0.297311 0.293219 0.423359 ] [ 0.963978 0.626552 0.756692 ] [ 0.630644 0.959886 0.090025 ] [ 0.293219 0.995908 0.576641 ] [ 0.959886 0.329241 0.909975 ] [ 0.626552 0.662575 0.243308 ] [ 0.004092 0.297311 0.576641 ] [ 0.670759 0.630644 0.909975 ] [ 0.337425 0.963978 0.243308 ] [ 0.702689 0.706781 0.576641 ] [ 0.369356 0.040114 0.909975 ] [ 0.036022 0.373448 0.243308 ] [ 0.995908 0.702689 0.423359 ] [ 0.662575 0.036022 0.756692 ] [ 0.329241 0.369356 0.090025 ] [ 0.706781 0.004092 0.423359 ] [ 0.373448 0.337425 0.756692 ] [ 0.040114 0.670759 0.090025 ] [ 0.724182 0.966967 0.542326 ] [ 0.390849 0.300301 0.875659 ] [ 0.057515 0.633634 0.208992 ] [ 0.033033 0.757215 0.542326 ] [ 0.699699 0.090548 0.875659 ] [ 0.366366 0.423882 0.208992 ] [ 0.242785 0.275818 0.542326 ] [ 0.909452 0.609151 0.875659 ] [ 0.576118 0.942485 0.208992 ] [ 0.275818 0.033033 0.457674 ] [ 0.942485 0.366366 0.791008 ] [ 0.609151 0.699699 0.124341 ] [ 0.966967 0.242785 0.457674 ] [ 0.633634 0.576118 0.791008 ] [ 0.300301 0.909452 0.124341 ] [ 0.757215 0.724182 0.457674 ] [ 0.423882 0.057515 0.791008 ] [ 0.090548 0.390849 0.124341 ] [ 0.186714 0.157705 0.730123 ] [ 0.853381 0.491039 0.063456 ] [ 0.520047 0.824372 0.39679 ] [ 0.842295 0.029009 0.730123 ] [ 0.508961 0.362342 0.063456 ] [ 0.175628 0.695675 0.39679 ] [ 0.49072 0.625655 0.57136 ] [ 0.157387 0.958989 0.904693 ] [ 0.824054 0.292322 0.238026 ] [ 0.134935 0.50928 0.57136 ] [ 0.801602 0.842613 0.904693 ] [ 0.468268 0.175946 0.238026 ] [ 0.374345 0.865065 0.57136 ] [ 0.041011 0.198398 0.904693 ] [ 0.707678 0.531732 0.238026 ] [ 0.50928 0.374345 0.42864 ] [ 0.175946 0.707678 0.761974 ] [ 0.842613 0.041011 0.095307 ] [ 0.865065 0.49072 0.42864 ] [ 0.531732 0.824054 0.761974 ] [ 0.198398 0.157387 0.095307 ] [ 0.625655 0.134935 0.42864 ] [ 0.292322 0.468268 0.761974 ] [ 0.958989 0.801602 0.095307 ] [ 0.029009 0.186714 0.269877 ] [ 0.695675 0.520047 0.60321 ] [ 0.362342 0.853381 0.936544 ] [ 0.157705 0.970991 0.269877 ] [ 0.824372 0.304325 0.60321 ] [ 0.491039 0.637658 0.936544 ] [ 0.813286 0.842295 0.269877 ] [ 0.479953 0.175628 0.60321 ] [ 0.146619 0.508961 0.936544 ] [ 0.970991 0.813286 0.730123 ] [ 0.637658 0.146619 0.063456 ] [ 0.304325 0.479953 0.39679 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "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" 9.89742553911 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }