{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.987815 0.330279 0.25039 ] [ 0.487815 0.669721 0.75039 ] [ 0.987815 0.330279 0.74961 ] [ 0.487815 0.669721 0.24961 ] [ 0.490816 0.175751 0.5 ] [ 0.990816 0.824249 0 ] [ 0.481939 0.184523 0 ] [ 0.981939 0.815477 0.5 ] [ 0.563384 0.871714 0 ] [ 0.142301 0.203221 0 ] [ 0.063384 0.128286 0.5 ] [ 0.642301 0.796779 0.5 ] [ 0.108965 0.665643 0.287097 ] [ 0.608965 0.334357 0.212903 ] [ 0.608965 0.334357 0.787097 ] [ 0.108965 0.665643 0.712903 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cd" "Cd" "Ge" "Ge" "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" 5.24069989 "source-unit" "angstrom" } "b" { "source-value" 5.57503721 "source-unit" "angstrom" } "c" { "source-value" 6.70555514 "source-unit" "angstrom" } }