{ "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 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.760893 0.5 0.756501 ] [ 0.999108 0.263269 0.235587 ] [ 0.999108 0.736731 0.235587 ] [ 0.239107 0.5 0.243499 ] [ 0.749881 0 0.733662 ] [ 0.000892 0.736731 0.764413 ] [ 0.000892 0.263269 0.764413 ] [ 0.250119 0 0.266338 ] [ 0.260893 0 0.756501 ] [ 0.499108 0.763269 0.235587 ] [ 0.499108 0.236731 0.235587 ] [ 0.739107 0 0.243499 ] [ 0.249881 0.5 0.733662 ] [ 0.500892 0.236731 0.764413 ] [ 0.500892 0.763269 0.764413 ] [ 0.750119 0.5 0.266338 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sb" "Sb" "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" 10.2723971 "source-unit" "angstrom" } "b" { "source-value" 6.05356641 "source-unit" "angstrom" } "c" { "source-value" 6.05592905 "source-unit" "angstrom" } "beta" { "source-value" 125.62173952 "source-unit" "degree" } }