{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.940946 0 0.643581 ] [ 0.056899 0 0.348436 ] [ 0.440946 0.5 0.643581 ] [ 0.556899 0.5 0.348436 ] [ 0.795772 0.5 0.717994 ] [ 0.295772 0 0.717994 ] [ 0.110284 0.5 0.695655 ] [ 0.88864 0.5 0.300199 ] [ 0.208322 0.5 0.282865 ] [ 0.610284 0 0.695655 ] [ 0.38864 0 0.300199 ] [ 0.708322 0 0.282865 ] [ 0.874411 0 0.32356 ] [ 0.773838 0 0.654896 ] [ 0.15014 0.5 0.011129 ] [ 0.062174 0.5 0.371689 ] [ 0.934933 0.5 0.639531 ] [ 0.852848 0.5 0.99334 ] [ 0.228269 0 0.337449 ] [ 0.122526 0 0.679675 ] [ 0.374411 0.5 0.32356 ] [ 0.273838 0.5 0.654896 ] [ 0.65014 0 0.011129 ] [ 0.562174 0 0.371689 ] [ 0.434933 0 0.639531 ] [ 0.352848 0 0.99334 ] [ 0.728269 0.5 0.337449 ] [ 0.622526 0.5 0.679675 ] ] } "species" { "source-value" [ "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" 12.2305644 "source-unit" "angstrom" } "b" { "source-value" 4.04730231 "source-unit" "angstrom" } "c" { "source-value" 6.58281416 "source-unit" "angstrom" } "beta" { "source-value" 107.67340024 "source-unit" "degree" } }