{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.154346 0.979914 0.368009 ] [ 0.845654 0.479914 0.131991 ] [ 0.845654 0.020086 0.631991 ] [ 0.154346 0.520086 0.868009 ] [ 0.706818 0.325236 0.898708 ] [ 0.293182 0.825236 0.601292 ] [ 0.293182 0.674764 0.101292 ] [ 0.706818 0.174764 0.398708 ] [ 0.696001 0.193091 0.046522 ] [ 0.303999 0.693091 0.453478 ] [ 0.303999 0.806909 0.953478 ] [ 0.696001 0.306909 0.546522 ] [ 0.81453 0.617762 0.927018 ] [ 0.18547 0.117762 0.572982 ] [ 0.18547 0.382238 0.072982 ] [ 0.81453 0.882238 0.427018 ] [ 0.92336 0.188199 0.810443 ] [ 0.07664 0.688199 0.689557 ] [ 0.07664 0.811801 0.189557 ] [ 0.92336 0.311801 0.310443 ] [ 0.436747 0.322849 0.816762 ] [ 0.563253 0.822849 0.683238 ] [ 0.563253 0.677151 0.183238 ] [ 0.436747 0.177151 0.316762 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.05592693518 "source-unit" "angstrom" } "b" { "source-value" 6.87493402 "source-unit" "angstrom" } "c" { "source-value" 13.1683948593 "source-unit" "angstrom" } "beta" { "source-value" 92.6174531022 "source-unit" "degree" } }