{ "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 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.219188 0.5 0.255774 ] [ 0.032607 0.263284 0.76988 ] [ 0.032607 0.736716 0.76988 ] [ 0.200999 0 0.240118 ] [ 0.799001 0 0.759882 ] [ 0.967393 0.263284 0.23012 ] [ 0.967393 0.736716 0.23012 ] [ 0.780812 0.5 0.744226 ] [ 0.719188 0 0.255774 ] [ 0.532607 0.763284 0.76988 ] [ 0.532607 0.236716 0.76988 ] [ 0.700999 0.5 0.240118 ] [ 0.299001 0.5 0.759882 ] [ 0.467393 0.763284 0.23012 ] [ 0.467393 0.236716 0.23012 ] [ 0.280812 0 0.744226 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 11.01644071 "source-unit" "angstrom" } "b" { "source-value" 5.60311648 "source-unit" "angstrom" } "c" { "source-value" 5.59176823 "source-unit" "angstrom" } "beta" { "source-value" 118.62219738 "source-unit" "degree" } }