COMMENT DUMPINT 10
SLOPPYCONV 1.0D-5
TIGHTCONV 1.0D-7
MAXBFGS   0.1
DEBUG
COMMENT !DUMP
COMMENT BINARY 204 1.5 0.5 0.8 0.88
SOFT_SPHERE 204 1.5 0.5 0.8 0.88
COMMENT PERIODIC 5.81789042829711 5.81789042829711 5.81789042829711
PERIODIC  6.3496042078728 6.3496042078728 6.3496042078728
SHIFTCUT 1.7320508075688772  !sqrt(3)
EDIFF 1.0D-5
MAXIT 1000 1000
STEPS 1 1.0
SAVE  1
STEP         0.2 0.0
TEMPERATURE 1.00
ACCEPTRATIO 0.3
Equilibration 1 1
binstructures 1
COMMENT DUMP
COMMENT VISITPROP
COMMENT RESTRICTREGION 2.2 0 0 0
FREEZE 1 2 3 4 5 8 10 11 12 14 16 20 21
FREEZE 22 23 24 25 26 28 29 30 31 32 33 34 35
FREEZE 36 38 39 40 41 42 43 44 45 46 47 48 49
FREEZE 50 51 52 53 54 55 56 57 58 59 61 62 63
FREEZE 64 65 67 68 69 70 71 72 73 75 76 77 78
FREEZE 79 80 81 82 83 84 86 87 88 89 90 91 92
FREEZE 93 94 95 97 100 101 102 103 104 105 106 107 109
FREEZE 110 111 113 114 115 116 117 118 119 120 121 122 123
FREEZE 124 125 126 127 128 129 130 132 133 134 135 136 137
FREEZE 139 140 142 143 144 145 147 148 149 150 151 152 153
FREEZE 154 156 157 158 159 160 161 162 163 164 167 168 169
FREEZE 171 172 173 174 175 178 179 180 181 182 183 184 185
FREEZE 186 187 188 189 191 192 193 194 195 196 197 198 199
FREEZE 200 201 202 204 205 206 207 208 209 210 211 212 213
FREEZE 215 216 217 218 219 220 221 223 224 225 226 227 228
FREEZE 229 230 232 233 235 236 237 238 239 241 242 243 245
FREEZE 246 247 248 249 251 252 254 256
