{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.983392 0.5 0.579766 ] [ 0.483392 0 0.579766 ] [ 0.22914 0.272317 0.412532 ] [ 0.22914 0.727683 0.412532 ] [ 0.72914 0.772317 0.412532 ] [ 0.72914 0.227683 0.412532 ] [ 0.027459 0 0.502385 ] [ 0.006407 0.5 0.085443 ] [ 0.981865 0 0.533006 ] [ 0.527459 0.5 0.502385 ] [ 0.506407 0 0.085443 ] [ 0.481865 0.5 0.533006 ] [ 0.117899 0 0.119587 ] [ 0.823553 0 0.776761 ] [ 0.617899 0.5 0.119587 ] [ 0.323553 0.5 0.776761 ] [ 0.225068 0.5 0.24085 ] [ 0.870639 0.5 0.080692 ] [ 0.190115 0.5 0.584856 ] [ 0.861788 0.191561 0.673723 ] [ 0.080186 0.192671 0.217804 ] [ 0.861788 0.808439 0.673723 ] [ 0.080186 0.807329 0.217804 ] [ 0.752252 0.5 0.317719 ] [ 0.190991 0.5 0.033669 ] [ 0.932134 0.5 0.977147 ] [ 0.725068 0 0.24085 ] [ 0.370639 0 0.080692 ] [ 0.690115 0 0.584856 ] [ 0.361788 0.691561 0.673723 ] [ 0.580186 0.692671 0.217804 ] [ 0.361788 0.308439 0.673723 ] [ 0.580186 0.307329 0.217804 ] [ 0.252252 0 0.317719 ] [ 0.690991 0 0.033669 ] [ 0.432134 0 0.977147 ] ] } "species" { "source-value" [ "K" "K" "Co" "Co" "Co" "Co" "H" "H" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "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" 13.86766081 "source-unit" "angstrom" } "b" { "source-value" 7.14258734 "source-unit" "angstrom" } "c" { "source-value" 7.08282913 "source-unit" "angstrom" } "beta" { "source-value" 115.28098851 "source-unit" "degree" } }