{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.105452 0.75 ] [ 0 0.894548 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.605452 0.75 ] [ 0.5 0.394548 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.26818 0.01302 0.526981 ] [ 0.980527 0.751462 0.491839 ] [ 0.019473 0.751462 0.008161 ] [ 0.019473 0.248538 0.508161 ] [ 0.980527 0.248538 0.991839 ] [ 0.73182 0.98698 0.473019 ] [ 0.26818 0.98698 0.026981 ] [ 0.73182 0.01302 0.973019 ] [ 0.76818 0.51302 0.526981 ] [ 0.480527 0.251462 0.491839 ] [ 0.519473 0.251462 0.008161 ] [ 0.519473 0.748538 0.508161 ] [ 0.480527 0.748538 0.991839 ] [ 0.23182 0.48698 0.473019 ] [ 0.76818 0.48698 0.026981 ] [ 0.23182 0.51302 0.973019 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 10.2354470688 "source-unit" "angstrom" } "b" { "source-value" 10.0666470347 "source-unit" "angstrom" } "c" { "source-value" 7.5704335358 "source-unit" "angstrom" } "beta" { "source-value" 130.64236395 "source-unit" "degree" } }