{ "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 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.992776 0.23745 0.229799 ] [ 0.992776 0.76255 0.229799 ] [ 0.236784 0 0.232519 ] [ 0.250265 0 0.771177 ] [ 0.749735 0 0.228823 ] [ 0.763216 0 0.767481 ] [ 0.007224 0.23745 0.770201 ] [ 0.007224 0.76255 0.770201 ] [ 0.492776 0.73745 0.229799 ] [ 0.492776 0.26255 0.229799 ] [ 0.736784 0.5 0.232519 ] [ 0.750265 0.5 0.771177 ] [ 0.249735 0.5 0.228823 ] [ 0.263216 0.5 0.767481 ] [ 0.507224 0.73745 0.770201 ] [ 0.507224 0.26255 0.770201 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "V" "V" "V" "V" "V" "V" "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" 10.30865332 "source-unit" "angstrom" } "b" { "source-value" 6.00819206 "source-unit" "angstrom" } "c" { "source-value" 6.00488855 "source-unit" "angstrom" } "beta" { "source-value" 125.15078977 "source-unit" "degree" } }