{ "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" [ [ 0.5 0.80106 0.5 ] [ 0 0.901338 0 ] [ 0.5 0.583405 0 ] [ 0.5 0.397762 0.5 ] [ 0 0.086911 0.5 ] [ 0.292614 0.416979 0.182113 ] [ 0.26195 0.741419 0.142891 ] [ 0.210172 0.069204 0.194685 ] [ 0.752874 0.248141 0.360826 ] [ 0.783775 0.922369 0.321777 ] [ 0.704244 0.573009 0.32242 ] [ 0.295756 0.573009 0.67758 ] [ 0.216225 0.922369 0.678223 ] [ 0.247126 0.248141 0.639174 ] [ 0.789828 0.069204 0.805315 ] [ 0.73805 0.741419 0.857109 ] [ 0.707386 0.416979 0.817887 ] ] } "species" { "source-value" [ "Li" "Sb" "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" 4.9524427 "source-unit" "angstrom" } "b" { "source-value" 8.50281127 "source-unit" "angstrom" } "c" { "source-value" 5.2536097 "source-unit" "angstrom" } "beta" { "source-value" 90.47255602 "source-unit" "degree" } }