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lammps/tools/i-pi/examples/tutorial/tutorial-3/our_ref.pdb
997f7a8845a2lammm-master-deprecated

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our_ref.pdb
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CRYST1 39.115 39.115 39.115 90.00 90.00 90.00 P 1 1
ATOM 1 H2 1 1 0.000 0.000 0.000 0.00 0.00 0
ATOM 2 H2 1 1 5.582 5.582 0.000 0.00 0.00 0
ATOM 3 H2 1 1 5.582 0.000 5.582 0.00 0.00 0
ATOM 4 H2 1 1 0.000 5.582 5.582 0.00 0.00 0
ATOM 5 H2 1 1 0.000 0.000 11.165 0.00 0.00 0
ATOM 6 H2 1 1 5.582 5.582 11.165 0.00 0.00 0
ATOM 7 H2 1 1 5.582 0.000 16.747 0.00 0.00 0
ATOM 8 H2 1 1 0.000 5.582 16.747 0.00 0.00 0
ATOM 9 H2 1 1 0.000 0.000 22.330 0.00 0.00 0
ATOM 10 H2 1 1 5.582 5.582 22.330 0.00 0.00 0
ATOM 11 H2 1 1 5.582 0.000 27.912 0.00 0.00 0
ATOM 12 H2 1 1 0.000 5.582 27.912 0.00 0.00 0
ATOM 13 H2 1 1 0.000 0.000 33.495 0.00 0.00 0
ATOM 14 H2 1 1 5.582 5.582 33.495 0.00 0.00 0
ATOM 15 H2 1 1 0.000 11.165 0.000 0.00 0.00 0
ATOM 16 H2 1 1 5.582 16.747 0.000 0.00 0.00 0
ATOM 17 H2 1 1 5.582 11.165 5.582 0.00 0.00 0
ATOM 18 H2 1 1 0.000 16.747 5.582 0.00 0.00 0
ATOM 19 H2 1 1 0.000 11.165 11.165 0.00 0.00 0
ATOM 20 H2 1 1 5.582 16.747 11.165 0.00 0.00 0
ATOM 21 H2 1 1 5.582 11.165 16.747 0.00 0.00 0
ATOM 22 H2 1 1 0.000 16.747 16.747 0.00 0.00 0
ATOM 23 H2 1 1 0.000 11.165 22.330 0.00 0.00 0
ATOM 24 H2 1 1 5.582 16.747 22.330 0.00 0.00 0
ATOM 25 H2 1 1 5.582 11.165 27.912 0.00 0.00 0
ATOM 26 H2 1 1 0.000 16.747 27.912 0.00 0.00 0
ATOM 27 H2 1 1 0.000 11.165 33.495 0.00 0.00 0
ATOM 28 H2 1 1 5.582 16.747 33.495 0.00 0.00 0
ATOM 29 H2 1 1 0.000 22.330 0.000 0.00 0.00 0
ATOM 30 H2 1 1 5.582 27.912 0.000 0.00 0.00 0
ATOM 31 H2 1 1 5.582 22.330 5.582 0.00 0.00 0
ATOM 32 H2 1 1 0.000 27.912 5.582 0.00 0.00 0
ATOM 33 H2 1 1 0.000 22.330 11.165 0.00 0.00 0
ATOM 34 H2 1 1 5.582 27.912 11.165 0.00 0.00 0
ATOM 35 H2 1 1 5.582 22.330 16.747 0.00 0.00 0
ATOM 36 H2 1 1 0.000 27.912 16.747 0.00 0.00 0
ATOM 37 H2 1 1 0.000 22.330 22.330 0.00 0.00 0
ATOM 38 H2 1 1 5.582 27.912 22.330 0.00 0.00 0
ATOM 39 H2 1 1 5.582 22.330 27.912 0.00 0.00 0
ATOM 40 H2 1 1 0.000 27.912 27.912 0.00 0.00 0
ATOM 41 H2 1 1 0.000 22.330 33.495 0.00 0.00 0
ATOM 42 H2 1 1 5.582 27.912 33.495 0.00 0.00 0
ATOM 43 H2 1 1 0.000 33.495 0.000 0.00 0.00 0
ATOM 44 H2 1 1 5.582 33.495 5.582 0.00 0.00 0
ATOM 45 H2 1 1 0.000 33.495 11.165 0.00 0.00 0
ATOM 46 H2 1 1 5.582 33.495 16.747 0.00 0.00 0
ATOM 47 H2 1 1 0.000 33.495 22.330 0.00 0.00 0
ATOM 48 H2 1 1 5.582 33.495 27.912 0.00 0.00 0
ATOM 49 H2 1 1 0.000 33.495 33.495 0.00 0.00 0
ATOM 50 H2 1 1 11.165 0.000 0.000 0.00 0.00 0
ATOM 51 H2 1 1 16.747 5.582 0.000 0.00 0.00 0
ATOM 52 H2 1 1 16.747 0.000 5.582 0.00 0.00 0
ATOM 53 H2 1 1 11.165 5.582 5.582 0.00 0.00 0
ATOM 54 H2 1 1 11.165 0.000 11.165 0.00 0.00 0
ATOM 55 H2 1 1 16.747 5.582 11.165 0.00 0.00 0
ATOM 56 H2 1 1 16.747 0.000 16.747 0.00 0.00 0
ATOM 57 H2 1 1 11.165 5.582 16.747 0.00 0.00 0
ATOM 58 H2 1 1 11.165 0.000 22.330 0.00 0.00 0
ATOM 59 H2 1 1 16.747 5.582 22.330 0.00 0.00 0
ATOM 60 H2 1 1 16.747 0.000 27.912 0.00 0.00 0
ATOM 61 H2 1 1 11.165 5.582 27.912 0.00 0.00 0
ATOM 62 H2 1 1 11.165 0.000 33.495 0.00 0.00 0
ATOM 63 H2 1 1 16.747 5.582 33.495 0.00 0.00 0
ATOM 64 H2 1 1 11.165 11.165 0.000 0.00 0.00 0
ATOM 65 H2 1 1 16.747 16.747 0.000 0.00 0.00 0
ATOM 66 H2 1 1 16.747 11.165 5.582 0.00 0.00 0
ATOM 67 H2 1 1 11.165 16.747 5.582 0.00 0.00 0
ATOM 68 H2 1 1 11.165 11.165 11.165 0.00 0.00 0
ATOM 69 H2 1 1 16.747 16.747 11.165 0.00 0.00 0
ATOM 70 H2 1 1 16.747 11.165 16.747 0.00 0.00 0
ATOM 71 H2 1 1 11.165 16.747 16.747 0.00 0.00 0
ATOM 72 H2 1 1 11.165 11.165 22.330 0.00 0.00 0
ATOM 73 H2 1 1 16.747 16.747 22.330 0.00 0.00 0
ATOM 74 H2 1 1 16.747 11.165 27.912 0.00 0.00 0
ATOM 75 H2 1 1 11.165 16.747 27.912 0.00 0.00 0
ATOM 76 H2 1 1 11.165 11.165 33.495 0.00 0.00 0
ATOM 77 H2 1 1 16.747 16.747 33.495 0.00 0.00 0
ATOM 78 H2 1 1 11.165 22.330 0.000 0.00 0.00 0
ATOM 79 H2 1 1 16.747 27.912 0.000 0.00 0.00 0
ATOM 80 H2 1 1 16.747 22.330 5.582 0.00 0.00 0
ATOM 81 H2 1 1 11.165 27.912 5.582 0.00 0.00 0
ATOM 82 H2 1 1 11.165 22.330 11.165 0.00 0.00 0
ATOM 83 H2 1 1 16.747 27.912 11.165 0.00 0.00 0
ATOM 84 H2 1 1 16.747 22.330 16.747 0.00 0.00 0
ATOM 85 H2 1 1 11.165 27.912 16.747 0.00 0.00 0
ATOM 86 H2 1 1 11.165 22.330 22.330 0.00 0.00 0
ATOM 87 H2 1 1 16.747 27.912 22.330 0.00 0.00 0
ATOM 88 H2 1 1 16.747 22.330 27.912 0.00 0.00 0
ATOM 89 H2 1 1 11.165 27.912 27.912 0.00 0.00 0
ATOM 90 H2 1 1 11.165 22.330 33.495 0.00 0.00 0
ATOM 91 H2 1 1 16.747 27.912 33.495 0.00 0.00 0
ATOM 92 H2 1 1 11.165 33.495 0.000 0.00 0.00 0
ATOM 93 H2 1 1 16.747 33.495 5.582 0.00 0.00 0
ATOM 94 H2 1 1 11.165 33.495 11.165 0.00 0.00 0
ATOM 95 H2 1 1 16.747 33.495 16.747 0.00 0.00 0
ATOM 96 H2 1 1 11.165 33.495 22.330 0.00 0.00 0
ATOM 97 H2 1 1 16.747 33.495 27.912 0.00 0.00 0
ATOM 98 H2 1 1 11.165 33.495 33.495 0.00 0.00 0
ATOM 99 H2 1 1 22.330 0.000 0.000 0.00 0.00 0
ATOM 100 H2 1 1 27.912 5.582 0.000 0.00 0.00 0
ATOM 101 H2 1 1 27.912 0.000 5.582 0.00 0.00 0
ATOM 102 H2 1 1 22.330 5.582 5.582 0.00 0.00 0
ATOM 103 H2 1 1 22.330 0.000 11.165 0.00 0.00 0
ATOM 104 H2 1 1 27.912 5.582 11.165 0.00 0.00 0
ATOM 105 H2 1 1 27.912 0.000 16.747 0.00 0.00 0
ATOM 106 H2 1 1 22.330 5.582 16.747 0.00 0.00 0
ATOM 107 H2 1 1 22.330 0.000 22.330 0.00 0.00 0
ATOM 108 H2 1 1 27.912 5.582 22.330 0.00 0.00 0
ATOM 109 H2 1 1 27.912 0.000 27.912 0.00 0.00 0
ATOM 110 H2 1 1 22.330 5.582 27.912 0.00 0.00 0
ATOM 111 H2 1 1 22.330 0.000 33.495 0.00 0.00 0
ATOM 112 H2 1 1 27.912 5.582 33.495 0.00 0.00 0
ATOM 113 H2 1 1 22.330 11.165 0.000 0.00 0.00 0
ATOM 114 H2 1 1 27.912 16.747 0.000 0.00 0.00 0
ATOM 115 H2 1 1 27.912 11.165 5.582 0.00 0.00 0
ATOM 116 H2 1 1 22.330 16.747 5.582 0.00 0.00 0
ATOM 117 H2 1 1 22.330 11.165 11.165 0.00 0.00 0
ATOM 118 H2 1 1 27.912 16.747 11.165 0.00 0.00 0
ATOM 119 H2 1 1 27.912 11.165 16.747 0.00 0.00 0
ATOM 120 H2 1 1 22.330 16.747 16.747 0.00 0.00 0
ATOM 121 H2 1 1 22.330 11.165 22.330 0.00 0.00 0
ATOM 122 H2 1 1 27.912 16.747 22.330 0.00 0.00 0
ATOM 123 H2 1 1 27.912 11.165 27.912 0.00 0.00 0
ATOM 124 H2 1 1 22.330 16.747 27.912 0.00 0.00 0
ATOM 125 H2 1 1 22.330 11.165 33.495 0.00 0.00 0
ATOM 126 H2 1 1 27.912 16.747 33.495 0.00 0.00 0
ATOM 127 H2 1 1 22.330 22.330 0.000 0.00 0.00 0
ATOM 128 H2 1 1 27.912 27.912 0.000 0.00 0.00 0
ATOM 129 H2 1 1 27.912 22.330 5.582 0.00 0.00 0
ATOM 130 H2 1 1 22.330 27.912 5.582 0.00 0.00 0
ATOM 131 H2 1 1 22.330 22.330 11.165 0.00 0.00 0
ATOM 132 H2 1 1 27.912 27.912 11.165 0.00 0.00 0
ATOM 133 H2 1 1 27.912 22.330 16.747 0.00 0.00 0
ATOM 134 H2 1 1 22.330 27.912 16.747 0.00 0.00 0
ATOM 135 H2 1 1 22.330 22.330 22.330 0.00 0.00 0
ATOM 136 H2 1 1 27.912 27.912 22.330 0.00 0.00 0
ATOM 137 H2 1 1 27.912 22.330 27.912 0.00 0.00 0
ATOM 138 H2 1 1 22.330 27.912 27.912 0.00 0.00 0
ATOM 139 H2 1 1 22.330 22.330 33.495 0.00 0.00 0
ATOM 140 H2 1 1 27.912 27.912 33.495 0.00 0.00 0
ATOM 141 H2 1 1 22.330 33.495 0.000 0.00 0.00 0
ATOM 142 H2 1 1 27.912 33.495 5.582 0.00 0.00 0
ATOM 143 H2 1 1 22.330 33.495 11.165 0.00 0.00 0
ATOM 144 H2 1 1 27.912 33.495 16.747 0.00 0.00 0
ATOM 145 H2 1 1 22.330 33.495 22.330 0.00 0.00 0
ATOM 146 H2 1 1 27.912 33.495 27.912 0.00 0.00 0
ATOM 147 H2 1 1 22.330 33.495 33.495 0.00 0.00 0
ATOM 148 H2 1 1 33.495 0.000 0.000 0.00 0.00 0
ATOM 149 H2 1 1 33.495 5.582 5.582 0.00 0.00 0
ATOM 150 H2 1 1 33.495 0.000 11.165 0.00 0.00 0
ATOM 151 H2 1 1 33.495 5.582 16.747 0.00 0.00 0
ATOM 152 H2 1 1 33.495 0.000 22.330 0.00 0.00 0
ATOM 153 H2 1 1 33.495 5.582 27.912 0.00 0.00 0
ATOM 154 H2 1 1 33.495 0.000 33.495 0.00 0.00 0
ATOM 155 H2 1 1 33.495 11.165 0.000 0.00 0.00 0
ATOM 156 H2 1 1 33.495 16.747 5.582 0.00 0.00 0
ATOM 157 H2 1 1 33.495 11.165 11.165 0.00 0.00 0
ATOM 158 H2 1 1 33.495 16.747 16.747 0.00 0.00 0
ATOM 159 H2 1 1 33.495 11.165 22.330 0.00 0.00 0
ATOM 160 H2 1 1 33.495 16.747 27.912 0.00 0.00 0
ATOM 161 H2 1 1 33.495 11.165 33.495 0.00 0.00 0
ATOM 162 H2 1 1 33.495 22.330 0.000 0.00 0.00 0
ATOM 163 H2 1 1 33.495 27.912 5.582 0.00 0.00 0
ATOM 164 H2 1 1 33.495 22.330 11.165 0.00 0.00 0
ATOM 165 H2 1 1 33.495 27.912 16.747 0.00 0.00 0
ATOM 166 H2 1 1 33.495 22.330 22.330 0.00 0.00 0
ATOM 167 H2 1 1 33.495 27.912 27.912 0.00 0.00 0
ATOM 168 H2 1 1 33.495 22.330 33.495 0.00 0.00 0
ATOM 169 H2 1 1 33.495 33.495 0.000 0.00 0.00 0
ATOM 170 H2 1 1 33.495 33.495 11.165 0.00 0.00 0
ATOM 171 H2 1 1 33.495 33.495 22.330 0.00 0.00 0
ATOM 172 H2 1 1 33.495 33.495 33.495 0.00 0.00 0
END
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