{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.035416 0.285266 0.033993 ] [ 0.708512 0.041155 0.039837 ] [ 0.963791 0.712603 0.968192 ] [ 0.542659 0.497363 0.76086 ] [ 0.542646 0.729071 0.552168 ] [ 0.290178 0.959123 0.958279 ] [ 0.033322 0.954745 0.283618 ] [ 0.964662 0.038658 0.715591 ] [ 0.453705 0.261292 0.398268 ] [ 0.475409 0.546483 0.272814 ] [ 0.718124 0.437168 0.484032 ] [ 0.28781 0.497866 0.560737 ] [ 0.999369 0.999219 0.999717 ] [ 0.667694 0.071523 0.750278 ] [ 0.66788 0.750055 0.017864 ] [ 0.070873 0.248199 0.325771 ] [ 0.263291 0.990745 0.667769 ] [ 0.737337 0.001903 0.332184 ] [ 0.330908 0.918683 0.249352 ] [ 0.00345 0.662298 0.253458 ] [ 0.738559 0.337297 0.073785 ] [ 0.330784 0.247982 0.989546 ] [ 0.927271 0.750769 0.673733 ] [ 0.99637 0.337733 0.743688 ] [ 0.260378 0.660699 0.931967 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pt" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.33458787724 "source-unit" "angstrom" } "b" { "source-value" 9.41478615493 "source-unit" "angstrom" } "c" { "source-value" 9.54304458485 "source-unit" "angstrom" } "alpha" { "source-value" 89.427919733 "source-unit" "degree" } "beta" { "source-value" 89.437616897 "source-unit" "degree" } "gamma" { "source-value" 87.5895574355 "source-unit" "degree" } }