{ "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" [ [ 0.193221 0.776876 0.928914 ] [ 0.806779 0.223124 0.071086 ] [ 0.819691 0.356019 0.596966 ] [ 0.180309 0.643981 0.403034 ] [ 0.713164 0.808141 0.600358 ] [ 0.286836 0.191859 0.399642 ] [ 0.688995 0.733809 0.219531 ] [ 0.311005 0.266191 0.780469 ] [ 0.907298 0.664156 0.58425 ] [ 0.092702 0.335844 0.41575 ] [ 0.786996 0.967633 0.754824 ] [ 0.213004 0.032367 0.245176 ] [ 0.436727 0.722461 0.604454 ] [ 0.563273 0.277539 0.395546 ] [ 0.728427 0.875726 0.414344 ] [ 0.271573 0.124274 0.585656 ] [ 0.574013 0.375642 0.78835 ] [ 0.425987 0.624358 0.21165 ] [ 0.298726 0.157789 0.922823 ] [ 0.701274 0.842211 0.077177 ] [ 0.090297 0.388721 0.795058 ] [ 0.909703 0.611279 0.204942 ] ] } "species" { "source-value" [ "Ba" "Ba" "Cu" "Cu" "P" "P" "P" "P" "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" 5.27706485 "source-unit" "angstrom" } "b" { "source-value" 7.66752967 "source-unit" "angstrom" } "c" { "source-value" 7.68067001 "source-unit" "angstrom" } "alpha" { "source-value" 103.60480847 "source-unit" "degree" } "beta" { "source-value" 91.67171161 "source-unit" "degree" } "gamma" { "source-value" 95.40162891 "source-unit" "degree" } }