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0.74952153 0.75047208 0.63576658 0.91618820 0.91713875 0.36380950 0.78043035 0.38653078 0.82468830 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 2 2 1 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.50000000 0.50000000 0.00000000 0.25000000 0.25000000 0.25000000 0.25000000 No title F normal 242.67600000 446.01400000 0.00001000 38 10 916 -1 -1 1526.00000000 0 0 0 0 0.00000000 1 0.20000000 0.50000000 T T T -0.00050000 -0.00050000 -100 2 F 0 2 1 1 F 1.00000000 1.00000000 1.00000000 1.00000000 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1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Sn 2typeatomspertypeelementmassvalencepseudopotential 108Mo 95.94000000 14.00000000 PAW_PBE Mo_sv 02Feb2006 1Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000 9.39666000 0.00000000 0.00000000 0.00000000 9.39666000 0.00000000 0.00000000 0.00000000 28.79330000 2542.36832031 0.10642079 0.00000000 0.00000000 0.00000000 0.10642079 0.00000000 0.00000000 0.00000000 0.03473030 0.08285486 0.08380541 0.20063150 0.59876384 0.66477148 0.87317633 0.08285486 0.08380541 0.52698375 0.24952153 0.25047208 0.47259233 0.08285486 0.08380541 0.41820092 0.24952153 0.25047208 0.58137516 0.13944300 0.03347095 0.68629963 0.24952153 0.25047208 0.25502604 0.08285486 0.08380541 0.30941809 0.24952153 0.25047208 0.69015799 0.08285486 0.08380541 0.63576658 0.24952153 0.25047208 0.36380950 0.08285486 0.41713875 0.20063150 0.32263257 0.57180598 0.81935785 0.08285486 0.41713875 0.52698375 0.24952153 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