{ "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" [ [ 0.381348 0.117875 0.675555 ] [ 0.618652 0.617875 0.324445 ] [ 0.125049 0.111535 0.817767 ] [ 0.874951 0.611535 0.182233 ] [ 0.326406 0.86118 0.120423 ] [ 0.673594 0.36118 0.879577 ] [ 0.17166 0.863025 0.380918 ] [ 0.82834 0.363025 0.619082 ] [ 0.266183 0.501453 0.744143 ] [ 0.733817 0.001453 0.255857 ] [ 0.237958 0.245573 0.246599 ] [ 0.762042 0.745573 0.753401 ] [ 0.622595 0.121493 0.676992 ] [ 0.377405 0.621493 0.323008 ] [ 0.885086 0.122136 0.824543 ] [ 0.114914 0.622136 0.175457 ] [ 0.322525 0.867245 0.878464 ] [ 0.677475 0.367245 0.121536 ] [ 0.172074 0.871081 0.620328 ] [ 0.827926 0.371081 0.379672 ] [ 0.51062 0.097734 0.49268 ] [ 0.48938 0.597734 0.50732 ] [ 0.574076 0.998272 0.368965 ] [ 0.425924 0.498272 0.631035 ] [ 0.492 0.234445 0.388654 ] [ 0.508 0.734445 0.611346 ] [ 0.8991 0.27281 0.084502 ] [ 0.1009 0.77281 0.915498 ] [ 0.986031 0.164273 0.994488 ] [ 0.013969 0.664273 0.005512 ] [ 0.028135 0.238707 0.116552 ] [ 0.971865 0.738707 0.883448 ] [ 0.193902 0.334058 0.79878 ] [ 0.806098 0.834058 0.20122 ] [ 0.361838 0.389281 0.673464 ] [ 0.638162 0.889281 0.326536 ] [ 0.301105 0.107185 0.164037 ] [ 0.698895 0.607185 0.835963 ] [ 0.179625 0.111114 0.334611 ] [ 0.820375 0.611114 0.665389 ] [ 0.507989 0.07635 0.615705 ] [ 0.492011 0.57635 0.384295 ] [ 0.00148 0.135201 0.887639 ] [ 0.99852 0.635201 0.112361 ] [ 0.38151 0.866541 0.993759 ] [ 0.61849 0.366541 0.006241 ] [ 0.111722 0.848619 0.505679 ] [ 0.888278 0.348619 0.494321 ] [ 0.379392 0.026216 0.802295 ] [ 0.620608 0.526216 0.197705 ] [ 0.094863 0.990806 0.699568 ] [ 0.905137 0.490806 0.300432 ] [ 0.795444 0.230219 0.894438 ] [ 0.204556 0.730219 0.105562 ] [ 0.701291 0.252162 0.604058 ] [ 0.298709 0.752162 0.395942 ] [ 0.596916 0.233556 0.785882 ] [ 0.403084 0.733556 0.214118 ] [ 0.898623 0.221707 0.711247 ] [ 0.101377 0.721707 0.288753 ] [ 0.19457 0.926006 0.893777 ] [ 0.80543 0.426006 0.106223 ] [ 0.282952 0.994415 0.601543 ] [ 0.717048 0.494415 0.398457 ] [ 0.676933 0.898744 0.697466 ] [ 0.323067 0.398744 0.302534 ] [ 0.856996 0.875812 0.816214 ] [ 0.143004 0.375812 0.183786 ] [ 0.19674 0.643035 0.664566 ] [ 0.80326 0.143035 0.335434 ] [ 0.329638 0.637886 0.830728 ] [ 0.670362 0.137886 0.169272 ] [ 0.506062 0.097902 0.413475 ] [ 0.493938 0.597902 0.586525 ] [ 0.966483 0.18136 0.0761 ] [ 0.033517 0.68136 0.9239 ] [ 0.052632 0.366487 0.477983 ] [ 0.947368 0.866487 0.522017 ] [ 0.450479 0.3559 0.011233 ] [ 0.549521 0.8559 0.988767 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 12.45007044 "source-unit" "angstrom" } "b" { "source-value" 6.63381205 "source-unit" "angstrom" } "c" { "source-value" 12.8842542 "source-unit" "angstrom" } "beta" { "source-value" 90.42041729 "source-unit" "degree" } }