{ "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" [ [ 1 0 0.5 ] [ 0.5 0.5 0 ] [ 0.38472 0.770984 0.296607 ] [ 0.61528 0.229016 0.703393 ] [ 0.970687 0.381741 0.246844 ] [ 0.029313 0.618259 0.753156 ] [ 0 0 0 ] [ 0.485937 0.7575 0.116534 ] [ 0.514063 0.2425 0.883466 ] [ 0.185872 0.90417 0.29308 ] [ 0.814128 0.09583 0.70692 ] [ 0.624061 0.821618 0.429092 ] [ 0.30255 0.563575 0.795809 ] [ 0.69745 0.436425 0.204191 ] [ 0.877975 0.648798 0.913282 ] [ 0.122025 0.351202 0.086718 ] [ 0.085207 0.799694 0.647995 ] [ 0.914793 0.200306 0.352005 ] [ 0.806057 0.444149 0.651571 ] [ 0.193943 0.555851 0.348429 ] [ 0.375939 0.178382 0.570908 ] ] } "species" { "source-value" [ "Fe" "Fe" "P" "P" "P" "P" "Pb" "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" 4.8761203822 "source-unit" "angstrom" } "b" { "source-value" 7.2044106816 "source-unit" "angstrom" } "c" { "source-value" 8.01715666693 "source-unit" "angstrom" } "alpha" { "source-value" 89.4824794479 "source-unit" "degree" } "beta" { "source-value" 92.6228285549 "source-unit" "degree" } "gamma" { "source-value" 106.69236453 "source-unit" "degree" } }