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1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1Si 1O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3H 3C 4C 4C 4C 4C 4C 4C 4C 4typeatomspertypeelementmassvalencepseudopotential 97Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 28O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 44H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 8C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 7.73386000 0.00000000 0.00000000 0.00000000 28.46772000 0.00000000 0.00000000 0.00000000 16.40601000 3612.03511421 0.12930154 0.00000000 0.00000000 0.00000000 0.03512751 0.00000000 0.00000000 0.00000000 0.06095327 0.00440960 0.36841659 0.26779736 0.00440960 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