{ "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" [ [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.755298 0.5 0.737849 ] [ 0.99678 0.256583 0.239874 ] [ 0.99678 0.743417 0.239874 ] [ 0.750393 0 0.733964 ] [ 0.249607 0 0.266036 ] [ 0.00322 0.256583 0.760126 ] [ 0.00322 0.743417 0.760126 ] [ 0.244702 0.5 0.262151 ] [ 0.255298 0 0.737849 ] [ 0.49678 0.756583 0.239874 ] [ 0.49678 0.243417 0.239874 ] [ 0.250393 0.5 0.733964 ] [ 0.749607 0.5 0.266036 ] [ 0.50322 0.756583 0.760126 ] [ 0.50322 0.243417 0.760126 ] [ 0.744702 0 0.262151 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Sn" "Sn" "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" 10.38600777 "source-unit" "angstrom" } "b" { "source-value" 6.06421322 "source-unit" "angstrom" } "c" { "source-value" 6.09163413 "source-unit" "angstrom" } "beta" { "source-value" 125.28274673 "source-unit" "degree" } }