{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.009079 0.25 ] [ 0.5 0.990921 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.269038 0.768563 0.017848 ] [ 0.75 0.749502 0.01973 ] [ 0.25 0.749502 0.48027 ] [ 0.5 0.455439 0.25 ] [ 0.730962 0.768563 0.482152 ] [ 0.269038 0.231437 0.517848 ] [ 0 0.037799 0.25 ] [ 0.5 0.544561 0.75 ] [ 0 0.962201 0.75 ] [ 0.75 0.250498 0.51973 ] [ 0.25 0.250498 0.98027 ] [ 0.730962 0.231437 0.982152 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "Ti" "Ti" "Ti" "Ti" "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" 5.55185542 "source-unit" "angstrom" } "b" { "source-value" 5.55939938 "source-unit" "angstrom" } "c" { "source-value" 7.76769348 "source-unit" "angstrom" } "beta" { "source-value" 90.00076092 "source-unit" "degree" } }