{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0 0.821462 0.666667 ] [ 0 0.834603 0.166667 ] [ 0.181233 0.681062 0.01141 ] [ 0.178538 0.178538 0 ] [ 0.499829 0.818767 0.678077 ] [ 0.165397 0.165397 0.5 ] [ 0.318938 0.500171 0.344744 ] [ 0.500171 0.318938 0.655256 ] [ 0.681062 0.181233 0.98859 ] [ 0.818767 0.499829 0.321923 ] [ 0.834603 0 0.833333 ] [ 0.821462 0 0.333333 ] [ 0 0.323595 0.166667 ] [ 0 0.29904 0.666667 ] [ 0.164114 0.665516 0.500756 ] [ 0.501402 0.835886 0.167423 ] [ 0.334484 0.498598 0.83409 ] [ 0.29904 0 0.333333 ] [ 0.676405 0.676405 0.5 ] [ 0.323595 0 0.833333 ] [ 0.70096 0.70096 0 ] [ 0.498598 0.334484 0.16591 ] [ 0.665516 0.164114 0.499244 ] [ 0.835886 0.501402 0.832577 ] [ 0.018067 0.852086 0.284605 ] [ 0.99418 0.801821 0.805823 ] [ 0.106164 0.656552 0.393886 ] [ 0.056942 0.443229 0.8063 ] [ 0.327375 0.99312 0.955856 ] [ 0.226478 0.694825 0.606321 ] [ 0.00688 0.334255 0.28919 ] [ 0.203529 0.686047 0.140022 ] [ 0.386286 0.943058 0.472966 ] [ 0.468347 0.773522 0.272987 ] [ 0.482518 0.796471 0.806689 ] [ 0.343448 0.449612 0.727219 ] [ 0.147914 0.165981 0.617938 ] [ 0.313953 0.517482 0.473355 ] [ 0.198179 0.192359 0.139157 ] [ 0.165981 0.147914 0.382062 ] [ 0.305175 0.531653 0.939654 ] [ 0.192359 0.198179 0.860843 ] [ 0.550388 0.893836 0.060553 ] [ 0.556771 0.613714 0.139633 ] [ 0.807641 0.00582 0.47249 ] [ 0.665745 0.672625 0.622523 ] [ 0.449612 0.343448 0.272781 ] [ 0.613714 0.556771 0.860367 ] [ 0.334255 0.00688 0.71081 ] [ 0.834019 0.981933 0.951272 ] [ 0.531653 0.305175 0.060346 ] [ 0.672625 0.665745 0.377477 ] [ 0.517482 0.313953 0.526645 ] [ 0.443229 0.056942 0.1937 ] [ 0.694825 0.226478 0.393679 ] [ 0.686047 0.203529 0.859978 ] [ 0.893836 0.550388 0.939447 ] [ 0.981933 0.834019 0.048728 ] [ 0.796471 0.482518 0.193311 ] [ 0.00582 0.807641 0.52751 ] [ 0.773522 0.468347 0.727013 ] [ 0.656552 0.106164 0.606114 ] [ 0.943058 0.386286 0.527034 ] [ 0.801821 0.99418 0.194177 ] [ 0.99312 0.327375 0.044144 ] [ 0.852086 0.018067 0.715395 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 7.55935829 "source-unit" "angstrom" } "c" { "source-value" 18.57285267 "source-unit" "angstrom" } }