{ "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" [ [ 0.117569 0.265939 0.448242 ] [ 0.617569 0.234061 0.448242 ] [ 0.882431 0.734061 0.551758 ] [ 0.382431 0.765939 0.551758 ] [ 0.804355 0.502264 0.184748 ] [ 0.195645 0.497736 0.815252 ] [ 0.304355 0.997736 0.184748 ] [ 0.695645 0.002264 0.815252 ] [ 0.068339 0.749441 0.23073 ] [ 0.931661 0.250559 0.76927 ] [ 0.568339 0.750559 0.23073 ] [ 0.682784 0.504966 0.771322 ] [ 0.041286 0.249276 0.14075 ] [ 0.817216 0.004966 0.228678 ] [ 0.458714 0.749276 0.85925 ] [ 0.182784 0.995034 0.771322 ] [ 0.541286 0.250724 0.14075 ] [ 0.317216 0.495034 0.228678 ] [ 0.958714 0.750724 0.85925 ] [ 0.431661 0.249441 0.76927 ] [ 0.26015 0.994541 0.036334 ] [ 0.76015 0.505459 0.036334 ] [ 0.294441 0.191895 0.80565 ] [ 0.649999 0.992576 0.664301 ] [ 0.143704 0.981232 0.635785 ] [ 0.499209 0.747977 0.992644 ] [ 0.889504 0.253325 0.633596 ] [ 0.909682 0.808289 0.196222 ] [ 0.700771 0.192569 0.184116 ] [ 0.400158 0.502434 0.80747 ] [ 0.799229 0.692569 0.815884 ] [ 0.149999 0.507424 0.664301 ] [ 0.486833 0.997484 0.808779 ] [ 0.013167 0.497484 0.191221 ] [ 0.408611 0.307304 0.186606 ] [ 0.200771 0.307431 0.184116 ] [ 0.900158 0.997566 0.80747 ] [ 0.591389 0.692696 0.813394 ] [ 0.705559 0.808105 0.19435 ] [ 0.986833 0.502516 0.808779 ] [ 0.610496 0.753325 0.366404 ] [ 0.599842 0.497566 0.19253 ] [ 0.091389 0.807304 0.813394 ] [ 0.513167 0.002516 0.191221 ] [ 0.850001 0.492576 0.335699 ] [ 0.000791 0.247977 0.007356 ] [ 0.389504 0.246675 0.633596 ] [ 0.299229 0.807431 0.815884 ] [ 0.23985 0.494541 0.963666 ] [ 0.73985 0.005459 0.963666 ] [ 0.110496 0.746675 0.366404 ] [ 0.999209 0.752023 0.992644 ] [ 0.090318 0.191711 0.803778 ] [ 0.856296 0.018768 0.364215 ] [ 0.908611 0.192696 0.186606 ] [ 0.409682 0.691711 0.196222 ] [ 0.590318 0.308289 0.803778 ] [ 0.350001 0.007424 0.335699 ] [ 0.794441 0.308105 0.80565 ] [ 0.500791 0.252023 0.007356 ] [ 0.205559 0.691895 0.19435 ] [ 0.356296 0.481232 0.364215 ] [ 0.099842 0.002434 0.19253 ] [ 0.643704 0.518768 0.635785 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "U" "U" "U" "U" "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" 12.06167851 "source-unit" "angstrom" } "b" { "source-value" 6.90933358 "source-unit" "angstrom" } "c" { "source-value" 12.64290793 "source-unit" "angstrom" } "beta" { "source-value" 106.64439119 "source-unit" "degree" } }