{ "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" [ [ 0.039366 0.081873 0.926367 ] [ 0.473348 0.28409 0.601028 ] [ 0.487105 0.812374 0.396713 ] [ 0.951802 0.760555 0.674078 ] [ 0.484308 0.319582 0.079798 ] [ 0.522479 0.605762 0.949316 ] [ 0.024156 0.264814 0.382365 ] [ 0.091391 0.453885 0.2458 ] [ 0.224372 0.381451 0.074498 ] [ 0.174324 0.163693 0.537945 ] [ 0.152006 0.653883 0.538238 ] [ 0.554306 0.221103 0.265214 ] [ 0.409969 0.773938 0.06697 ] [ 0.596588 0.182538 0.933891 ] [ 0.450808 0.655041 0.763889 ] [ 0.788113 0.396191 0.447781 ] [ 0.071675 0.107488 0.263381 ] [ 0.735211 0.876736 0.583384 ] [ 0.785976 0.521542 0.956011 ] [ 0.932296 0.50706 0.779234 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "P" "P" "P" "P" "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" 6.91537638 "source-unit" "angstrom" } "b" { "source-value" 7.3233704 "source-unit" "angstrom" } "c" { "source-value" 7.64113783 "source-unit" "angstrom" } "alpha" { "source-value" 76.24647346 "source-unit" "degree" } "beta" { "source-value" 78.40630163 "source-unit" "degree" } "gamma" { "source-value" 63.29589014 "source-unit" "degree" } }