{ "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 0 0.5 ] [ 0 0 0 ] [ 0.625301 0.311199 0.77216 ] [ 0.374699 0.688801 0.22784 ] [ 0.175473 0.470397 0.811861 ] [ 0.824527 0.529603 0.188139 ] [ 0.512414 0.756294 0.664067 ] [ 0.487586 0.243706 0.335933 ] [ 0.906306 0.312561 0.722589 ] [ 0.093694 0.687439 0.277411 ] [ 0.337618 0.288585 0.815995 ] [ 0.662382 0.711415 0.184005 ] [ 0.217515 0.649428 0.990197 ] [ 0.782485 0.350572 0.009803 ] [ 0.222247 0.637089 0.655227 ] [ 0.777753 0.362911 0.344773 ] [ 0.413838 0.989742 0.220646 ] [ 0.586162 0.010258 0.779354 ] [ 0.458758 0.247874 0.53333 ] [ 0.541242 0.752126 0.46667 ] [ 0.319911 0.381222 0.219832 ] [ 0.680089 0.618778 0.780168 ] ] } "species" { "source-value" [ "K" "K" "Al" "Al" "As" "As" "As" "As" "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" 6.30575944 "source-unit" "angstrom" } "b" { "source-value" 6.39044153 "source-unit" "angstrom" } "c" { "source-value" 8.32499702 "source-unit" "angstrom" } "alpha" { "source-value" 96.79877936 "source-unit" "degree" } "beta" { "source-value" 104.57823046 "source-unit" "degree" } "gamma" { "source-value" 102.49408929 "source-unit" "degree" } }