{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.585108 0.31752 0.968265 ] [ 0.917232 0.65757 0.531757 ] [ 0.407066 0.679311 0.030594 ] [ 0.54046 0.243021 0.306016 ] [ 0.035243 0.238736 0.788069 ] [ 0.953284 0.759929 0.206443 ] [ 0.452795 0.744572 0.693844 ] [ 0.557018 0.260823 0.6384 ] [ 0.939643 0.739449 0.865799 ] [ 0.058038 0.260093 0.128502 ] [ 0.446321 0.743879 0.368596 ] [ 0.605565 0.145788 0.752171 ] [ 0.716707 0.292626 0.522978 ] [ 0.832941 0.329741 0.141873 ] [ 0.356721 0.360142 0.662502 ] [ 0.128327 0.157741 0.236829 ] [ 0.772143 0.701122 0.980925 ] [ 0.219225 0.302968 0.009685 ] [ 0.873885 0.827458 0.744839 ] [ 0.658684 0.658673 0.362128 ] [ 0.166765 0.675807 0.858805 ] [ 0.289179 0.738519 0.488491 ] [ 0.388015 0.833028 0.246853 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "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" 5.30025433 "source-unit" "angstrom" } "b" { "source-value" 5.88717626 "source-unit" "angstrom" } "c" { "source-value" 9.0184603 "source-unit" "angstrom" } "alpha" { "source-value" 103.5184723 "source-unit" "degree" } "beta" { "source-value" 90.56787313 "source-unit" "degree" } "gamma" { "source-value" 113.1082808 "source-unit" "degree" } }