{ "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" [ [ 0.619184 0.25 0.026699 ] [ 0.224249 0.75 0.090848 ] [ 0.96491 0.25 0.061192 ] [ 0.458251 0.25 0.284536 ] [ 0.200581 0.75 0.254268 ] [ 0.804872 0.25 0.314385 ] [ 0.041755 0.75 0.367757 ] [ 0.648007 0.25 0.429657 ] [ 0.392055 0.75 0.40697 ] [ 0.607945 0.25 0.59303 ] [ 0.351993 0.75 0.570343 ] [ 0.958245 0.25 0.632243 ] [ 0.195128 0.75 0.685615 ] [ 0.799419 0.25 0.745732 ] [ 0.541749 0.75 0.715464 ] [ 0.03509 0.75 0.938808 ] [ 0.775751 0.25 0.909152 ] [ 0.380816 0.75 0.973301 ] [ 0.57839 0.75 0.004319 ] [ 0.167072 0.25 0.079497 ] [ 0.791287 0.25 0.010687 ] [ 0.382091 0.75 0.093721 ] [ 0.000153 0.75 0.046103 ] [ 0.646451 0.25 0.101102 ] [ 0.212932 0.75 0.172442 ] [ 0.93421 0.25 0.130064 ] [ 0.48605 0.25 0.215113 ] [ 0.774191 0.25 0.239893 ] [ 0.424775 0.75 0.301836 ] [ 0.042554 0.75 0.250071 ] [ 0.631816 0.25 0.333122 ] [ 0.257322 0.25 0.265721 ] [ 0.41963 0.25 0.391094 ] [ 0.841208 0.75 0.336193 ] [ 0.999034 0.25 0.343931 ] [ 0.591268 0.75 0.425477 ] [ 0.212393 0.75 0.355058 ] [ 0.806165 0.25 0.436073 ] [ 0.060755 0.75 0.442192 ] [ 0.636862 0.25 0.51933 ] [ 0.363138 0.75 0.48067 ] [ 0.939245 0.25 0.557808 ] [ 0.193835 0.75 0.563927 ] [ 0.787607 0.25 0.644942 ] [ 0.408732 0.25 0.574523 ] [ 0.000966 0.75 0.656069 ] [ 0.158792 0.25 0.663807 ] [ 0.742678 0.75 0.734279 ] [ 0.58037 0.75 0.608906 ] [ 0.368184 0.75 0.666878 ] [ 0.957446 0.25 0.749929 ] [ 0.575225 0.25 0.698164 ] [ 0.225809 0.75 0.760107 ] [ 0.51395 0.75 0.784887 ] [ 0.06579 0.75 0.869936 ] [ 0.787068 0.25 0.827558 ] [ 0.353549 0.75 0.898898 ] [ 0.999847 0.25 0.953897 ] [ 0.617909 0.25 0.906279 ] [ 0.208713 0.75 0.989313 ] [ 0.832928 0.75 0.920503 ] [ 0.42161 0.25 0.995681 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.34576418 "source-unit" "angstrom" } "b" { "source-value" 3.65304435 "source-unit" "angstrom" } "c" { "source-value" 21.82728642 "source-unit" "angstrom" } "beta" { "source-value" 101.65274221 "source-unit" "degree" } }