{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.037358 0.67918 0.216788 ] [ 0.537358 0.82082 0.716788 ] [ 0.962642 0.32082 0.783212 ] [ 0.462642 0.17918 0.283212 ] [ 0.691661 0.877562 0.935781 ] [ 0.313154 0.12421 0.487768 ] [ 0.808339 0.377562 0.564219 ] [ 0.29726 0.379693 0.787774 ] [ 0.20274 0.879693 0.712226 ] [ 0.418274 0.370076 0.272412 ] [ 0.918274 0.129924 0.772412 ] [ 0.081726 0.870076 0.227588 ] [ 0.308339 0.122438 0.064219 ] [ 0.813154 0.37579 0.987768 ] [ 0.191661 0.622438 0.435781 ] [ 0.79726 0.120307 0.287774 ] [ 0.186846 0.62421 0.012232 ] [ 0.70274 0.620307 0.212226 ] [ 0.581726 0.629924 0.727588 ] [ 0.686846 0.87579 0.512232 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "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" 4.91252897492 "source-unit" "angstrom" } "b" { "source-value" 9.0968253 "source-unit" "angstrom" } "c" { "source-value" 6.87832087191 "source-unit" "angstrom" } "beta" { "source-value" 94.4522419926 "source-unit" "degree" } }