{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.20855 0.156467 0.124892 ] [ 0.20855 0.843533 0.124892 ] [ 0.79145 0.843533 0.875108 ] [ 0.79145 0.156467 0.875108 ] [ 0.70855 0.656467 0.124892 ] [ 0.70855 0.343533 0.124892 ] [ 0.29145 0.343533 0.875108 ] [ 0.29145 0.656467 0.875108 ] [ 0.738169 0 0.297666 ] [ 0.261831 0 0.702334 ] [ 0.238169 0.5 0.297666 ] [ 0.761831 0.5 0.702334 ] [ 0.820848 0.85111 0.149142 ] [ 0.820848 0.14889 0.149142 ] [ 0.370689 0 0.261602 ] [ 0.629311 0 0.738398 ] [ 0.179152 0.85111 0.850858 ] [ 0.179152 0.14889 0.850858 ] [ 0.320848 0.35111 0.149142 ] [ 0.320848 0.64889 0.149142 ] [ 0.870689 0.5 0.261602 ] [ 0.129311 0.5 0.738398 ] [ 0.679152 0.35111 0.850858 ] [ 0.679152 0.64889 0.850858 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Te" "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" 5.15122837 "source-unit" "angstrom" } "b" { "source-value" 9.67510047 "source-unit" "angstrom" } "c" { "source-value" 7.47721472 "source-unit" "angstrom" } "beta" { "source-value" 95.08475529 "source-unit" "degree" } }