{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.609546 0.50422 0.616822 ] [ 0.381281 0.014453 0.386285 ] [ 0.609546 0.49578 0.116822 ] [ 0.381281 0.985547 0.886285 ] [ 0.695057 0.026494 0.718908 ] [ 0.963538 0.506701 0.939065 ] [ 0.277074 0.501601 0.281974 ] [ 0.048291 0.000645 0.051416 ] [ 0.963538 0.493299 0.439065 ] [ 0.695057 0.973506 0.218908 ] [ 0.277074 0.498399 0.781974 ] [ 0.048291 0.999355 0.551416 ] [ 0.470592 0.32711 0.711685 ] [ 0.14502 0.355442 0.368759 ] [ 0.470592 0.67289 0.211685 ] [ 0.14502 0.644558 0.868759 ] [ 0.057615 0.839501 0.292665 ] [ 0.389344 0.847054 0.626149 ] [ 0.746316 0.827699 0.964869 ] [ 0.820435 0.32263 0.037601 ] [ 0.258388 0.322206 0.537379 ] [ 0.192846 0.833289 0.465558 ] [ 0.858738 0.842034 0.126131 ] [ 0.612147 0.329074 0.875223 ] [ 0.534002 0.826492 0.793478 ] [ 0.93977 0.310979 0.206036 ] [ 0.057615 0.160499 0.792665 ] [ 0.389344 0.152946 0.126149 ] [ 0.820435 0.67737 0.537601 ] [ 0.746316 0.172301 0.464869 ] [ 0.192846 0.166711 0.965558 ] [ 0.258388 0.677794 0.037379 ] [ 0.612147 0.670926 0.375223 ] [ 0.858738 0.157966 0.626131 ] [ 0.93977 0.689021 0.706036 ] [ 0.534002 0.173508 0.293478 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.68554531 "source-unit" "angstrom" } "b" { "source-value" 5.11225744 "source-unit" "angstrom" } "c" { "source-value" 17.70227518 "source-unit" "angstrom" } "beta" { "source-value" 104.61108068 "source-unit" "degree" } }