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1.00000000 1.00000000 1.00000000 T T F 0 F 0-- 1 F F F F F F -1.00000000 0 0 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1 1 1 F F F 0 0 F 0.00000000 0.00000000 0 F -0.84910000 0.12340000 1.00000000 0.00000000 0 12.00833080 1.00000000 F F F F 0 0.10000000 -1.00000000 0.00200000 -0.10000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 0.00000000 0.00000000 0.00000000 T F F F T 0 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F F F F T 0 -1 0 0 0 F F F F F F 2 F F F F F F -2.00000000 -2.00000000 -1.00000000 F -1 0.00000000 0 0 -1 -1 -1 60 1 3 4 0 -30.00000000 -30.00000000 -200.00000000 0 -0.10000000 F F F F F F F 1 1 1 2800 0 -1 -1 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 217 5 ionelementatomtypeSi 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 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 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 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 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2O 2C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3C 3N 4N 4N 4N 4N 4N 4N 4N 4N 4F 5typeatomspertypeelementmassvalencepseudopotential 73Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 103O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 31C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 9N 14.00100000 5.00000000 PAW_PBE N 08Apr2002 1F 18.99800000 7.00000000 PAW_PBE F 08Apr2002 32.52140000 0.00000000 0.00000000 0.00000000 12.52140000 0.00000000 0.00000000 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