{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.780602 0.020722 0.213372 ] [ 0.219398 0.979278 0.786628 ] [ 0.219398 0.520722 0.786628 ] [ 0.780602 0.479278 0.213372 ] [ 0.773414 0.75 0.648238 ] [ 0.226586 0.25 0.351762 ] [ 0.707736 0.25 0.567959 ] [ 0.292264 0.75 0.432041 ] [ 0.719177 0.75 0.945107 ] [ 0.280823 0.25 0.054893 ] [ 0.507904 0.75 0.859287 ] [ 0.935291 0.75 0.864767 ] [ 0.492096 0.25 0.140713 ] [ 0.195436 0.943321 0.335523 ] [ 0.195436 0.556679 0.335523 ] [ 0.189643 0.75 0.598478 ] [ 0.810357 0.25 0.401522 ] [ 0.804564 0.443321 0.664477 ] [ 0.804564 0.056679 0.664477 ] [ 0.404282 0.25 0.555045 ] [ 0.732486 0.75 0.092752 ] [ 0.267514 0.25 0.907248 ] [ 0.595719 0.75 0.444955 ] [ 0.064709 0.25 0.135233 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "P" "P" "C" "C" "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" 5.1784861704 "source-unit" "angstrom" } "b" { "source-value" 6.2974167 "source-unit" "angstrom" } "c" { "source-value" 8.58304574294 "source-unit" "angstrom" } "beta" { "source-value" 92.2560351952 "source-unit" "degree" } }