{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.707289 0.5 0.990945 ] [ 0.659798 0.5 0.358348 ] [ 0.635002 0.5 0.651236 ] [ 0.206129 0.5 0.493105 ] [ 0.159056 0.5 0.85734 ] [ 0.133774 0.5 0.150332 ] [ 0.326016 0 0.313831 ] [ 0.862781 0 0.504313 ] [ 0.824084 0 0.815656 ] [ 0.811869 0 0.180041 ] [ 0.364472 0 0.003383 ] [ 0.312472 0 0.680109 ] [ 0.00016 0.5 0.666961 ] [ 0.999831 0 0.999911 ] [ 0.997762 0.5 0.333436 ] [ 0.502342 0.5 0.16506 ] [ 0.499021 0 0.501321 ] [ 0.500185 0.5 0.833306 ] [ 0.98746 0.5 0.430669 ] [ 0.981836 0.5 0.763874 ] [ 0.863603 0.5 0.609148 ] [ 0.85721 0.5 0.279364 ] [ 0.847986 0 0.95722 ] [ 0.65612 0.5 0.125194 ] [ 0.651749 0.5 0.790664 ] [ 0.637867 0 0.445587 ] [ 0.514174 0 0.598379 ] [ 0.488763 0.5 0.930458 ] [ 0.486818 0.5 0.262297 ] [ 0.363998 0.5 0.108771 ] [ 0.35991 0.5 0.779125 ] [ 0.34604 0 0.460305 ] [ 0.154756 0.5 0.627759 ] [ 0.14816 0.5 0.290005 ] [ 0.139585 0 0.945409 ] [ 0.011924 0 0.097138 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "O" "O" "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" 8.24405512 "source-unit" "angstrom" } "b" { "source-value" 3.13955914 "source-unit" "angstrom" } "c" { "source-value" 14.29396127 "source-unit" "angstrom" } "beta" { "source-value" 90.10137137 "source-unit" "degree" } }