{ "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" [ [ 0.015057 0.996941 0.992439 ] [ 0.995884 0.50252 0.254043 ] [ 0.504718 0.491999 0.493341 ] [ 0.484043 0.002048 0.757437 ] [ 0.743036 0.006959 0.375144 ] [ 0.515829 0.258141 0.122204 ] [ 0.250587 0.499303 0.875629 ] [ 0.515272 0.745272 0.11198 ] [ 0.985638 0.744434 0.637523 ] [ 0.256103 0.006836 0.374586 ] [ 0.984682 0.256812 0.637495 ] [ 0.498635 0.229642 0.363935 ] [ 0.000386 0.773006 0.383545 ] [ 0.759368 0.999522 0.623407 ] [ 0.999992 0.231758 0.382777 ] [ 0.020489 0.252264 0.865141 ] [ 0.479958 0.252295 0.888909 ] [ 0.26229 0.503449 0.11921 ] [ 0.734762 0.505202 0.136504 ] [ 0.772805 0.502594 0.608892 ] [ 0.019653 0.744518 0.864431 ] [ 0.480065 0.746227 0.883245 ] [ 0.499634 0.764414 0.36701 ] [ 0.226777 0.997425 0.614652 ] [ 0.745 0.994829 0.126123 ] [ 0.265199 0.991235 0.135105 ] [ 0.234138 0.500355 0.630293 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "N" "O" "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" 5.6309974 "source-unit" "angstrom" } "b" { "source-value" 5.69357011 "source-unit" "angstrom" } "c" { "source-value" 7.9551173 "source-unit" "angstrom" } "alpha" { "source-value" 89.84751444 "source-unit" "degree" } "beta" { "source-value" 88.87595479 "source-unit" "degree" } "gamma" { "source-value" 89.75757618 "source-unit" "degree" } }