{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.922307 0.052544 0.102261 ] [ 0.077693 0.552544 0.897739 ] [ 0.478736 0.754645 0.402786 ] [ 0.521264 0.254645 0.597214 ] [ 0.528745 0.350774 0.098755 ] [ 0.471255 0.850774 0.901245 ] [ 0.981986 0.492541 0.420656 ] [ 0.018014 0.992541 0.579344 ] [ 0.197204 0.007048 0.453853 ] [ 0.189633 0.517949 0.531288 ] [ 0.068813 0.18756 0.665782 ] [ 0.922995 0.237489 0.801048 ] [ 0.077005 0.737489 0.198952 ] [ 0.931187 0.68756 0.334218 ] [ 0.802796 0.507048 0.546147 ] [ 0.810367 0.017949 0.468712 ] [ 0.757079 0.40136 0.058898 ] [ 0.591929 0.991456 0.804139 ] [ 0.609077 0.817568 0.082061 ] [ 0.456075 0.689411 0.77508 ] [ 0.543925 0.189411 0.22492 ] [ 0.390923 0.317568 0.917939 ] [ 0.242921 0.90136 0.941102 ] [ 0.408071 0.491456 0.195861 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Be" "Be" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.34675768 "source-unit" "angstrom" } "b" { "source-value" 7.80782259 "source-unit" "angstrom" } "c" { "source-value" 7.39624576 "source-unit" "angstrom" } "beta" { "source-value" 94.29330997 "source-unit" "degree" } }