{ "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" [ [ 0.498073 0.831583 0.663511 ] [ 0.504506 0.505718 0.011283 ] [ 0.498789 0.166677 0.333771 ] [ 0.001079 0.335134 0.670329 ] [ 0.015784 0.656702 0.312516 ] [ 0.000716 0.000049 0.999655 ] [ 0.525046 0.599196 0.200081 ] [ 0.038293 0.627337 0.667052 ] [ 0.04303 0.961844 0.331659 ] [ 0.050526 0.295342 0.000974 ] [ 0.533554 0.931826 0.863761 ] [ 0.457012 0.733594 0.465899 ] [ 0.463776 0.405751 0.810206 ] [ 0.538634 0.265946 0.53291 ] [ 0.465071 0.067454 0.134618 ] [ 0.960176 0.039744 0.667345 ] [ 0.952424 0.706207 0.001666 ] [ 0.953509 0.369897 0.332765 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.29600599 "source-unit" "angstrom" } "b" { "source-value" 6.63451604 "source-unit" "angstrom" } "c" { "source-value" 10.17695853 "source-unit" "angstrom" } "alpha" { "source-value" 108.05264911 "source-unit" "degree" } "beta" { "source-value" 92.41093813 "source-unit" "degree" } "gamma" { "source-value" 95.518252 "source-unit" "degree" } }