{ "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" [ [ 0.29094 0.558851 0.749775 ] [ 0.70906 0.441149 0.250225 ] [ 0.20906 0.058851 0.250225 ] [ 0.79094 0.941149 0.749775 ] [ 0.992646 0.742077 0.25059 ] [ 0.507354 0.242077 0.74941 ] [ 0.492646 0.757923 0.25059 ] [ 0.007354 0.257923 0.74941 ] [ 0.242999 0.888997 0.749714 ] [ 0.742999 0.611003 0.749714 ] [ 0.757001 0.111003 0.250286 ] [ 0.257001 0.388997 0.250286 ] [ 0.551805 0.487529 0.748147 ] [ 0.948195 0.987529 0.251853 ] [ 0.568268 0.985945 0.251191 ] [ 0.650153 0.252781 0.050869 ] [ 0.748004 0.682241 0.249115 ] [ 0.431732 0.014055 0.748809 ] [ 0.248004 0.817759 0.249115 ] [ 0.251996 0.317759 0.750885 ] [ 0.651244 0.753895 0.551591 ] [ 0.068268 0.514055 0.251191 ] [ 0.931732 0.485945 0.748809 ] [ 0.150153 0.247219 0.050869 ] [ 0.051805 0.012471 0.748147 ] [ 0.751996 0.182241 0.750885 ] [ 0.848756 0.253895 0.448409 ] [ 0.849847 0.752781 0.949131 ] [ 0.448195 0.512471 0.251853 ] [ 0.349847 0.747219 0.949131 ] [ 0.348756 0.246105 0.448409 ] [ 0.151244 0.746105 0.551591 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ta" "Ta" "Ta" "Ta" "Ge" "Ge" "Ge" "Ge" "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" 7.60534653354 "source-unit" "angstrom" } "b" { "source-value" 8.18259208 "source-unit" "angstrom" } "c" { "source-value" 7.68250417035 "source-unit" "angstrom" } "beta" { "source-value" 119.660857897 "source-unit" "degree" } }