{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.645754 0.75 0.145912 ] [ 0.354246 0.25 0.854088 ] [ 0.757959 0.75 0.531344 ] [ 0.242041 0.25 0.468656 ] [ 0.446857 0.391079 0.691819 ] [ 0.553143 0.891079 0.308181 ] [ 0.553143 0.608921 0.308181 ] [ 0.446857 0.108921 0.691819 ] [ 0.67995 0.25 0.985116 ] [ 0.32005 0.75 0.014884 ] [ 0.5098 0.25 0.350511 ] [ 0.4902 0.75 0.649489 ] [ 0.025097 0.25 0.682102 ] [ 0.974903 0.75 0.317898 ] [ 0.245253 0.104043 0.973729 ] [ 0.754747 0.604043 0.026271 ] [ 0.754747 0.895957 0.026271 ] [ 0.245253 0.395957 0.973729 ] [ 0.053614 0.097611 0.337586 ] [ 0.946386 0.597611 0.662414 ] [ 0.946386 0.902389 0.662414 ] [ 0.053614 0.402389 0.337586 ] ] } "species" { "source-value" [ "Ta" "Ta" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.31639583017 "source-unit" "angstrom" } "b" { "source-value" 12.50873368 "source-unit" "angstrom" } "c" { "source-value" 10.4767915226 "source-unit" "angstrom" } "beta" { "source-value" 103.685156495 "source-unit" "degree" } }