{ "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" [ [ 0.75 0.75 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.49095 0.778827 0.226576 ] [ 0.730227 0 0.216702 ] [ 0.99095 0.721173 0.226576 ] [ 0.751373 0 0.770362 ] [ 0.748627 0.5 0.229638 ] [ 0.50905 0.778827 0.773424 ] [ 0.769773 0.5 0.783298 ] [ 0.00905 0.721173 0.773424 ] [ 0.99095 0.278827 0.226576 ] [ 0.230227 0.5 0.216702 ] [ 0.49095 0.221173 0.226576 ] [ 0.251373 0.5 0.770362 ] [ 0.248627 0 0.229638 ] [ 0.00905 0.278827 0.773424 ] [ 0.269773 0 0.783298 ] [ 0.50905 0.221173 0.773424 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Ni" "Ni" "Ni" "Ni" "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" 10.03751407 "source-unit" "angstrom" } "b" { "source-value" 5.90733687 "source-unit" "angstrom" } "c" { "source-value" 5.83980489 "source-unit" "angstrom" } "beta" { "source-value" 124.65670052 "source-unit" "degree" } }