{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.211864 0.24916 0.747919 ] [ 0.194419 0.750023 0.107457 ] [ 0.805581 0.250023 0.892543 ] [ 0.788136 0.74916 0.252081 ] [ 0.07576 0.250315 0.312385 ] [ 0.508337 0.750292 0.829269 ] [ 0.485144 0.521228 0.493012 ] [ 0.514856 0.021228 0.506988 ] [ 0.491663 0.250292 0.170731 ] [ 0.92424 0.750315 0.687615 ] [ 0.99979 0.753939 0.522005 ] [ 0.998313 0.005165 0.183427 ] [ 0.995678 0.492166 0.179383 ] [ 0.368889 0.749621 0.948156 ] [ 0.328708 0.252915 0.414625 ] [ 0.329646 0.742505 0.417807 ] [ 0.460409 0.014879 0.710453 ] [ 0.466347 0.484128 0.712135 ] [ 0.26495 0.254301 0.035809 ] [ 0.73505 0.754301 0.964191 ] [ 0.533653 0.984128 0.287865 ] [ 0.539591 0.514879 0.289547 ] [ 0.670354 0.242505 0.582193 ] [ 0.671292 0.752915 0.585375 ] [ 0.631111 0.249621 0.051844 ] [ 0.004322 0.992166 0.820617 ] [ 0.001687 0.505165 0.816573 ] [ 0.00021 0.253939 0.477995 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 8.02750887 "source-unit" "angstrom" } "b" { "source-value" 6.05326272 "source-unit" "angstrom" } "c" { "source-value" 8.76397234 "source-unit" "angstrom" } "beta" { "source-value" 110.75615733 "source-unit" "degree" } }