{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.723845 0 ] [ 0 0.10975 0 ] [ 0.5 0.416813 0 ] [ 0 0.919562 0.5 ] [ 0.5 0.605873 0.5 ] [ 0.257794 0.262471 0.877923 ] [ 0.284762 0.581955 0.817093 ] [ 0.195125 0.918576 0.815288 ] [ 0.708419 0.44289 0.686072 ] [ 0.788211 0.072869 0.680975 ] [ 0.757488 0.751407 0.643438 ] [ 0.242512 0.751407 0.356562 ] [ 0.211789 0.072869 0.319025 ] [ 0.291581 0.44289 0.313928 ] [ 0.804875 0.918576 0.184712 ] [ 0.715238 0.581955 0.182907 ] [ 0.742206 0.262471 0.122077 ] ] } "species" { "source-value" [ "Li" "Nb" "Te" "Te" "Te" "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" 4.96850659 "source-unit" "angstrom" } "b" { "source-value" 8.67605336 "source-unit" "angstrom" } "c" { "source-value" 5.23559351 "source-unit" "angstrom" } "beta" { "source-value" 90.35515831 "source-unit" "degree" } }