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0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 No title F normal 400.00000000 644.87300000 0.00001000 38 10 1062 -1 -1 1767.00000000 0 0 0 0 0.00000000 1 0.20000000 0.50000000 T T T -0.00050000 -0.00050000 -0.00050000 -0.00050000 -0.00050000 -0.00050000 -100 2 F 0 2 1 1 F 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000
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1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 -1.00000000 F 0.00000000 0.00000000 1.00000000 F 0.00000000 0.00000000 0.00000000 F F F 60 -5 2 400.00000000 T F 0.00000000 0.00000000 0.30000000 4 0.40000000 0.40000000 1.00000000 0.10000000 1.60000000 1.00000000 4 F -45 100.00000000 1 1 5 F F 0 1.00000000 -100.00000000 -100.00000000 -100.00000000 0.00000000 70 70 126 140 140 252 F 0 -1 0 2 0.00000000 -0.02000000 0 0.50000000 -3.00000000 1.00000000 0.00010000 0.00010000 1 1 256 16.00000000 2 0.00001000 0 1.45000000 0.73000000 1.11000000 0.77000000 0.32000000 0.99000000 301 10.00000000 -10.00000000 0.00000000 1 F F F F F F F F 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 4 -1 T F F F F F 3 -1 F 47.88000000 16.00000000 28.08500000 12.01100000 1.00000000 35.45300000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 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 12.26120562 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 0.80000001 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 232 6 ionelementatomtypeTi 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 1Ti 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 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 2Si 3C 4C 4C 4H 5H 5H 5H 5H 5H 5H 5H 5H 5H 5Cl 6typeatomspertypeelementmassvalencepseudopotential 72Ti 47.88000000 12.00000000 PAW_PBE Ti_sv 26Sep2005 145O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 1Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 3C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 10H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 1Cl 35.45300000 7.00000000 PAW_PBE 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