start chab
title "chabazite+CH3+H2O"
memory total 64000 mb
geometry units an noautosym autoz print
system crystal
lat_a 9.30401
lat_b 9.30401
lat_c 9.30401
alpha 94.59725
beta 94.59725
gamma 94.59725
end
Si 0.6630619970 0.1287530013 0.9009689949
Si 0.1249520062 0.9047549905 0.6653859891
Si 0.8888590008 0.6667329991 0.1288439981
Si 0.0948109990 0.8800640206 0.3336629992
Si 0.3348389988 0.1177780023 0.8745709939
Si 0.8882930011 0.3393579926 0.1050680018
Si 0.3194949956 0.8963010128 0.1075500077
Si 0.8594619904 0.1137800103 0.3354530235
Si 0.1069729944 0.3532760023 0.8795319992
Si 0.9002259949 0.1457679882 0.6626659851
Si 0.1049870008 0.6798830109 0.8922339940
Al 0.6510779850 0.8997990001 0.1351610054
O 0.4703179904 0.7465870322 0.4577880158
O 0.0149480033 0.7294130210 0.2572690059
O 0.2701349800 0.9982359920 0.7421819920
O 0.7638809891 0.2646000101 0.9800289990
O 0.9766159996 0.2844929939 0.7582480050
O 0.7087239916 0.0302680088 0.2777360158
O 0.2318499969 0.9296780125 0.2486870103
O 0.9041590024 0.2479310008 0.2432779957
O 0.2448779952 0.2594290067 0.8702770025
O 0.7362439908 0.0955809893 0.7318929907
O 0.7519139837 0.7548390077 0.1322730028
O 0.1532659970 0.8557649894 0.5000180003
O 0.5022610256 0.1708789973 0.8497279933
O 0.8457670027 0.4982129811 0.1550990131
O 0.8525049985 0.1831389668 0.5029959893
O 0.4730500165 0.8458479955 0.1572369960
O 0.3284919746 0.0474749979 0.0270560006
O 0.9913089992 0.0102110099 0.3399130135
O 0.0440899957 0.3457529987 0.0360280011
O 0.9883770001 0.0050409895 0.6718319761
O 0.6665070135 0.9816369981 0.9717309979
O 0.2327039881 0.7689490029 0.9968769999
O 0.0819660011 0.7616640046 0.7449539956
O 0.1513999987 0.5179249876 0.8463670009
O 0.9562470016 0.6688810078 0.9707069996
C 0.5828628104 0.9075613387 0.5739109912
H 0.3727960023 0.7558430120 0.4773830069
H 0.5233148889 0.8997488180 0.6628453694
H 0.5651040408 -0.0211286043 0.4965297923
H 0.6746669281 0.8418646587 0.5673914538
H 0.4730119839 0.7683170118 0.3592529873
end
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