{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.008824 0.249404 0.001228 ] [ 0.991176 0.749404 0.498772 ] [ 0.991176 0.750596 0.998772 ] [ 0.343786 0.511679 0.716468 ] [ 0.008824 0.250596 0.501228 ] [ 0.343786 0.988321 0.216468 ] [ 0.656214 0.011679 0.783532 ] [ 0.656214 0.488321 0.283532 ] [ 0.478617 0.558549 0.362114 ] [ 0.402503 0.074545 0.332753 ] [ 0.476047 0.656633 0.749624 ] [ 0.478617 0.941451 0.862114 ] [ 0.521383 0.058549 0.137886 ] [ 0.523953 0.343367 0.250376 ] [ 0.597497 0.925455 0.667247 ] [ 0.521383 0.441451 0.637886 ] [ 0.597497 0.574545 0.167247 ] [ 0.476047 0.843367 0.249624 ] [ 0.523953 0.156633 0.750376 ] [ 0.402503 0.425455 0.832753 ] [ 0.192401 0.391141 0.057222 ] [ 0.090815 0.83124 0.631575 ] [ 0.270123 0.176116 0.950281 ] [ 0.897719 0.843592 0.860792 ] [ 0.027546 0.944873 0.224016 ] [ 0.807599 0.608859 0.942778 ] [ 0.909185 0.33124 0.868425 ] [ 0.745436 0.316213 0.055105 ] [ 0.102281 0.156408 0.139208 ] [ 0.729877 0.676116 0.549719 ] [ 0.729877 0.823884 0.049719 ] [ 0.745436 0.183787 0.555105 ] [ 0.254564 0.683787 0.944895 ] [ 0.897719 0.656408 0.360792 ] [ 0.189605 0.902157 0.053327 ] [ 0.189605 0.597843 0.553327 ] [ 0.807599 0.891141 0.442778 ] [ 0.270123 0.323884 0.450281 ] [ 0.909185 0.16876 0.368425 ] [ 0.810395 0.402157 0.446673 ] [ 0.102281 0.343592 0.639208 ] [ 0.254564 0.816213 0.444895 ] [ 0.090815 0.66876 0.131575 ] [ 0.972454 0.444873 0.275984 ] [ 0.972454 0.055127 0.775984 ] [ 0.810395 0.097843 0.946673 ] [ 0.192401 0.108859 0.557222 ] [ 0.027546 0.555127 0.724016 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.73411251611 "source-unit" "angstrom" } "b" { "source-value" 10.39178424 "source-unit" "angstrom" } "c" { "source-value" 12.6612928893 "source-unit" "angstrom" } "beta" { "source-value" 100.216367372 "source-unit" "degree" } }