{ "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" [ [ 0.579545 0.561494 0.159435 ] [ 0.616617 0.47966 0.712404 ] [ 0.89692 0.748421 0.270666 ] [ 0.648153 0.090747 0.107676 ] [ 0.500555 0.52121 0.536703 ] [ 0.173357 0.419236 0.217351 ] [ 0.671022 0.035328 0.676013 ] [ 0.186047 0.704836 0.734316 ] [ 0.118842 0.136117 0.179721 ] [ 0.421567 0.130569 0.993849 ] [ 0.656733 0.270923 0.331049 ] [ 0.99029 0.604109 0.602044 ] [ 0.481617 0.863157 0.65112 ] [ 0.4851 0.375664 0.636655 ] [ 0.907158 0.965136 0.180297 ] [ 0.758554 0.053993 0.009936 ] [ 0.44825 0.524212 0.259927 ] [ 0.974703 0.406747 0.693373 ] [ 0.115441 0.274247 0.96144 ] [ 0.632733 0.494904 0.393011 ] [ 0.773301 0.931281 0.35225 ] [ 0.385647 0.430111 0.118999 ] [ 0.173406 0.588184 0.509764 ] [ 0.920281 0.460602 0.125117 ] [ 0.66368 0.119848 0.77307 ] [ 0.626103 0.77663 0.56279 ] [ 0.015682 0.878518 0.639717 ] [ 0.424294 0.920655 0.122852 ] [ 0.787251 0.337366 0.475985 ] [ 0.96715 0.896094 0.808349 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86881287 "source-unit" "angstrom" } "b" { "source-value" 7.15719623 "source-unit" "angstrom" } "c" { "source-value" 21.83633625 "source-unit" "angstrom" } "alpha" { "source-value" 81.61124067 "source-unit" "degree" } "beta" { "source-value" 83.90383223 "source-unit" "degree" } "gamma" { "source-value" 62.75895538 "source-unit" "degree" } }