{ "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" [ [ 0.027309 0.000714 0.011643 ] [ 0.178944 0.416569 0.317864 ] [ 0.363803 0.101797 0.682754 ] [ 0.521715 0.502854 0.01271 ] [ 0.678763 0.876256 0.331186 ] [ 0.862405 0.604395 0.674294 ] [ 0.357601 0.433883 0.664473 ] [ 0.188088 0.092694 0.307037 ] [ 0.069283 0.380336 0.096759 ] [ 0.222841 0.737632 0.399824 ] [ 0.469733 0.149214 0.897094 ] [ 0.863598 0.940149 0.684185 ] [ 0.652823 0.516961 0.267117 ] [ 0.57491 0.832605 0.111793 ] [ 0.972041 0.63836 0.887664 ] ] } "species" { "source-value" [ "Sr" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 4.06570089 "source-unit" "angstrom" } "b" { "source-value" 6.89485177 "source-unit" "angstrom" } "c" { "source-value" 9.99715593 "source-unit" "angstrom" } "alpha" { "source-value" 98.18353641 "source-unit" "degree" } "beta" { "source-value" 101.61318791 "source-unit" "degree" } "gamma" { "source-value" 90.0846587 "source-unit" "degree" } }