{ "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" [ [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0 ] [ 0.003973 0.245723 0.258058 ] [ 0.003973 0.754277 0.258058 ] [ 0.750141 0 0.755786 ] [ 0.24415 0 0.716032 ] [ 0.75585 0 0.283968 ] [ 0.249859 0 0.244214 ] [ 0.996027 0.245723 0.741942 ] [ 0.996027 0.754277 0.741942 ] [ 0.503973 0.745723 0.258058 ] [ 0.503973 0.254277 0.258058 ] [ 0.250141 0.5 0.755786 ] [ 0.74415 0.5 0.716032 ] [ 0.25585 0.5 0.283968 ] [ 0.749859 0.5 0.244214 ] [ 0.496027 0.745723 0.741942 ] [ 0.496027 0.254277 0.741942 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 10.21945249 "source-unit" "angstrom" } "b" { "source-value" 5.80700856 "source-unit" "angstrom" } "c" { "source-value" 5.79954578 "source-unit" "angstrom" } "beta" { "source-value" 124.49803172 "source-unit" "degree" } }