{ "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" [ [ 0.622547 0.257579 0.62768 ] [ 0.622547 0.742421 0.62768 ] [ 0.122547 0.757579 0.62768 ] [ 0.122547 0.242421 0.62768 ] [ 0.862569 0.5 0.124962 ] [ 0.249499 0.5 0.227814 ] [ 0.882059 0.5 0.625521 ] [ 0.362569 0 0.124962 ] [ 0.749499 0 0.227814 ] [ 0.382059 0 0.625521 ] [ 0.375901 0.229504 0.371037 ] [ 0.111809 0.5 0.856442 ] [ 0.375901 0.770496 0.371037 ] [ 0.875901 0.729504 0.371037 ] [ 0.611809 0 0.856442 ] [ 0.875901 0.270496 0.371037 ] [ 0.117475 0.5 0.366832 ] [ 0.869105 0.28192 0.876661 ] [ 0.138771 0 0.863699 ] [ 0.152995 0 0.434015 ] [ 0.869105 0.71808 0.876661 ] [ 0.617475 0 0.366832 ] [ 0.369105 0.78192 0.876661 ] [ 0.638771 0.5 0.863699 ] [ 0.652995 0.5 0.434015 ] [ 0.369105 0.21808 0.876661 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 10.42174349 "source-unit" "angstrom" } "b" { "source-value" 5.94305646 "source-unit" "angstrom" } "c" { "source-value" 6.10520303 "source-unit" "angstrom" } "beta" { "source-value" 125.63263136 "source-unit" "degree" } }