{ "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" [ [ 0.757758 0.191463 0.863558 ] [ 0.733318 0.035762 0.589506 ] [ 0.266682 0.964238 0.410494 ] [ 0.242242 0.808537 0.136442 ] [ 0.731841 0.446561 0.411084 ] [ 0.75719 0.328068 0.137151 ] [ 0.24281 0.671932 0.862849 ] [ 0.268159 0.553439 0.588916 ] [ 0.775218 0.869159 0.281378 ] [ 0.734033 0.765258 0.999911 ] [ 0.265967 0.234742 0.000089 ] [ 0.224782 0.130841 0.718622 ] [ 0.777685 0.586312 0.718679 ] [ 0.222315 0.413688 0.281321 ] [ 0.5 0.5 0 ] [ 0.697096 0.027222 0.415488 ] [ 0.504669 0.354323 0.721502 ] [ 0.806871 0.751923 0.135995 ] [ 0.193129 0.248077 0.864005 ] [ 0.002738 0.341015 0.679869 ] [ 0.302904 0.972778 0.584512 ] [ 0.805094 0.617814 0.863336 ] [ 0.495331 0.645677 0.278498 ] [ 0.5 0 0 ] [ 0.695986 0.612077 0.585109 ] [ 0.001521 0.86728 0.734768 ] [ 0 0 0 ] [ 0.997262 0.658985 0.320131 ] [ 0.304014 0.387923 0.414891 ] [ 0.194906 0.382186 0.136664 ] [ 0.998479 0.13272 0.265232 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "In" "In" "O" "O" "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" 6.19972366 "source-unit" "angstrom" } "b" { "source-value" 6.23747398 "source-unit" "angstrom" } "c" { "source-value" 15.15140569 "source-unit" "angstrom" } "alpha" { "source-value" 101.84627364 "source-unit" "degree" } "beta" { "source-value" 90.02469852 "source-unit" "degree" } "gamma" { "source-value" 90.04168914 "source-unit" "degree" } }