Energy of Formation : Interfaces: (Hf3AlO8)6 and (TINO)8 (from job 302, test-2) structure opt. all 1.0 10.34219346 0.19235453 -0.03691853 -0.14393848 14.96064910 -0.08313703 -0.14180149 -0.22959770 40.93904024 Hf Al Zr O Ti N 36 36 72 288 72 72 Direct 0.02187476 0.86142371 0.78318732 # 1 Hf1_s1 0.02187476 0.91697927 0.14634394 # 2 Hf2_s1 0.02187476 0.97253482 0.27371262 # 3 Hf3_s1 0.02187476 0.69475705 0.40108129 # 4 Hf4_s1 0.02187476 0.75031260 0.52844997 # 5 Hf5_s1 0.02187476 0.80586816 0.65581864 # 6 Hf6_s1 0.52187476 0.86142371 0.78318732 # 7 Hf7_s1 0.52187476 0.91697927 0.14634394 # 8 Hf8_s1 0.52187476 0.97253482 0.27371262 # 9 Hf9_s1 0.52187476 0.69475705 0.40108129 # 10 Hf10_s1 0.52187476 0.75031260 0.52844997 # 11 Hf11_s1 0.52187476 0.80586816 0.65581864 # 12 Hf12_s1 0.02187476 0.52809038 0.78318732 # 13 Hf13_s1 0.02187476 0.58364594 0.14634394 # 14 Hf14_s1 0.02187476 0.63920149 0.27371262 # 15 Hf15_s1 0.02187476 0.36142371 0.40108129 # 16 Hf16_s1 0.02187476 0.41697927 0.52844997 # 17 Hf17_s1 0.02187476 0.47253482 0.65581864 # 18 Hf18_s1 0.52187476 0.52809038 0.78318732 # 19 Hf19_s1 0.52187476 0.58364594 0.14634394 # 20 Hf20_s1 0.52187476 0.63920149 0.27371262 # 21 Hf21_s1 0.52187476 0.36142371 0.40108129 # 22 Hf22_s1 0.52187476 0.41697927 0.52844997 # 23 Hf23_s1 0.52187476 0.47253482 0.65581864 # 24 Hf24_s1 0.02187476 0.19475705 0.78318732 # 25 Hf25_s1 0.02187476 0.25031260 0.14634394 # 26 Hf26_s1 0.02187476 0.30586816 0.27371262 # 27 Hf27_s1 0.02187476 0.02809038 0.40108129 # 28 Hf28_s1 0.02187476 0.08364594 0.52844997 # 29 Hf29_s1 0.02187476 0.13920149 0.65581864 # 30 Hf30_s1 0.52187476 0.19475705 0.78318732 # 31 Hf31_s1 0.52187476 0.25031260 0.14634394 # 32 Hf32_s1 0.52187476 0.30586816 0.27371262 # 33 Hf33_s1 0.52187476 0.02809038 0.40108129 # 34 Hf34_s1 0.52187476 0.08364594 0.52844997 # 35 Hf35_s1 0.52187476 0.13920149 0.65581864 # 36 Hf36_s1 0.26326515 0.71115000 0.79600640 # 37 Al1_s1 0.26326515 0.76670555 0.15916302 # 38 Al2_s1 0.26326515 0.82226111 0.28653170 # 39 Al3_s1 0.26326515 0.87781666 0.41390037 # 40 Al4_s1 0.26326515 0.93337222 0.54126905 # 41 Al5_s1 0.26326515 0.98892778 0.66863772 # 42 Al6_s1 0.76326515 0.71115000 0.79600640 # 43 Al7_s1 0.76326515 0.76670555 0.15916302 # 44 Al8_s1 0.76326515 0.82226111 0.28653170 # 45 Al9_s1 0.76326515 0.87781666 0.41390037 # 46 Al10_s1 0.76326515 0.93337222 0.54126905 # 47 Al11_s1 0.76326515 0.98892778 0.66863772 # 48 Al12_s1 0.26326515 0.37781666 0.79600640 # 49 Al13_s1 0.26326515 0.43337222 0.15916302 # 50 Al14_s1 0.26326515 0.48892778 0.28653170 # 51 Al15_s1 0.26326515 0.54448333 0.41390037 # 52 Al16_s1 0.26326515 0.60003889 0.54126905 # 53 Al17_s1 0.26326515 0.65559444 0.66863772 # 54 Al18_s1 0.76326515 0.37781666 0.79600640 # 55 Al19_s1 0.76326515 0.43337222 0.15916302 # 56 Al20_s1 0.76326515 0.48892778 0.28653170 # 57 Al21_s1 0.76326515 0.54448333 0.41390037 # 58 Al22_s1 0.76326515 0.60003889 0.54126905 # 59 Al23_s1 0.76326515 0.65559444 0.66863772 # 60 Al24_s1 0.26326515 0.04448333 0.79600640 # 61 Al25_s1 0.26326515 0.10003889 0.15916302 # 62 Al26_s1 0.26326515 0.15559444 0.28653170 # 63 Al27_s1 0.26326515 0.21115000 0.41390037 # 64 Al28_s1 0.26326515 0.26670555 0.54126905 # 65 Al29_s1 0.26326515 0.32226111 0.66863772 # 66 Al30_s1 0.76326515 0.04448333 0.79600640 # 67 Al31_s1 0.76326515 0.10003889 0.15916302 # 68 Al32_s1 0.76326515 0.15559444 0.28653170 # 69 Al33_s1 0.76326515 0.21115000 0.41390037 # 70 Al34_s1 0.76326515 0.26670555 0.54126905 # 71 Al35_s1 0.76326515 0.32226111 0.66863772 # 72 Al36_s1 0.47391240 0.74228129 0.85575131 # 73 Zr1_s1 0.23209133 0.88759548 0.84678597 # 74 Zr2_s1 0.47391240 0.79783685 0.21890793 # 75 Zr3_s1 0.23209133 0.94315104 0.20994260 # 76 Zr4_s1 0.47391240 0.85339240 0.34627661 # 77 Zr5_s1 0.23209133 0.99870659 0.33731127 # 78 Zr6_s1 0.47391240 0.90894796 0.47364528 # 79 Zr7_s1 0.23209133 0.72092882 0.46467995 # 80 Zr8_s1 0.47391240 0.96450351 0.60101396 # 81 Zr9_s1 0.23209133 0.77648437 0.59204862 # 82 Zr10_s1 0.47391240 0.68672574 0.72838263 # 83 Zr11_s1 0.23209133 0.83203993 0.71941730 # 84 Zr12_s1 0.97391240 0.74228129 0.85575131 # 85 Zr13_s1 0.73209133 0.88759548 0.84678597 # 86 Zr14_s1 0.97391240 0.79783685 0.21890793 # 87 Zr15_s1 0.73209133 0.94315104 0.20994260 # 88 Zr16_s1 0.97391240 0.85339240 0.34627661 # 89 Zr17_s1 0.73209133 0.99870659 0.33731127 # 90 Zr18_s1 0.97391240 0.90894796 0.47364528 # 91 Zr19_s1 0.73209133 0.72092882 0.46467995 # 92 Zr20_s1 0.97391240 0.96450351 0.60101396 # 93 Zr21_s1 0.73209133 0.77648437 0.59204862 # 94 Zr22_s1 0.97391240 0.68672574 0.72838263 # 95 Zr23_s1 0.73209133 0.83203993 0.71941730 # 96 Zr24_s1 0.47391240 0.40894796 0.85575131 # 97 Zr25_s1 0.23209133 0.55426215 0.84678597 # 98 Zr26_s1 0.47391240 0.46450351 0.21890793 # 99 Zr27_s1 0.23209133 0.60981770 0.20994260 # 100 Zr28_s1 0.47391240 0.52005907 0.34627661 # 101 Zr29_s1 0.23209133 0.66537326 0.33731127 # 102 Zr30_s1 0.47391240 0.57561462 0.47364528 # 103 Zr31_s1 0.23209133 0.38759548 0.46467995 # 104 Zr32_s1 0.47391240 0.63117018 0.60101396 # 105 Zr33_s1 0.23209133 0.44315104 0.59204862 # 106 Zr34_s1 0.47391240 0.35339240 0.72838263 # 107 Zr35_s1 0.23209133 0.49870659 0.71941730 # 108 Zr36_s1 0.97391240 0.40894796 0.85575131 # 109 Zr37_s1 0.73209133 0.55426215 0.84678597 # 110 Zr38_s1 0.97391240 0.46450351 0.21890793 # 111 Zr39_s1 0.73209133 0.60981770 0.20994260 # 112 Zr40_s1 0.97391240 0.52005907 0.34627661 # 113 Zr41_s1 0.73209133 0.66537326 0.33731127 # 114 Zr42_s1 0.97391240 0.57561462 0.47364528 # 115 Zr43_s1 0.73209133 0.38759548 0.46467995 # 116 Zr44_s1 0.97391240 0.63117018 0.60101396 # 117 Zr45_s1 0.73209133 0.44315104 0.59204862 # 118 Zr46_s1 0.97391240 0.35339240 0.72838263 # 119 Zr47_s1 0.73209133 0.49870659 0.71941730 # 120 Zr48_s1 0.47391240 0.07561462 0.85575131 # 121 Zr49_s1 0.23209133 0.22092882 0.84678597 # 122 Zr50_s1 0.47391240 0.13117018 0.21890793 # 123 Zr51_s1 0.23209133 0.27648437 0.20994260 # 124 Zr52_s1 0.47391240 0.18672574 0.34627661 # 125 Zr53_s1 0.23209133 0.33203993 0.33731127 # 126 Zr54_s1 0.47391240 0.24228129 0.47364528 # 127 Zr55_s1 0.23209133 0.05426215 0.46467995 # 128 Zr56_s1 0.47391240 0.29783685 0.60101396 # 129 Zr57_s1 0.23209133 0.10981770 0.59204862 # 130 Zr58_s1 0.47391240 0.02005907 0.72838263 # 131 Zr59_s1 0.23209133 0.16537326 0.71941730 # 132 Zr60_s1 0.97391240 0.07561462 0.85575131 # 133 Zr61_s1 0.73209133 0.22092882 0.84678597 # 134 Zr62_s1 0.97391240 0.13117018 0.21890793 # 135 Zr63_s1 0.73209133 0.27648437 0.20994260 # 136 Zr64_s1 0.97391240 0.18672574 0.34627661 # 137 Zr65_s1 0.73209133 0.33203993 0.33731127 # 138 Zr66_s1 0.97391240 0.24228129 0.47364528 # 139 Zr67_s1 0.73209133 0.05426215 0.46467995 # 140 Zr68_s1 0.97391240 0.29783685 0.60101396 # 141 Zr69_s1 0.73209133 0.10981770 0.59204862 # 142 Zr70_s1 0.97391240 0.02005907 0.72838263 # 143 Zr71_s1 0.73209133 0.16537326 0.71941730 # 144 Zr72_s1 0.15367086 0.94866740 0.80162870 # 145 O1_s1 0.39973808 0.97985925 0.77546170 # 146 O2_s1 0.33110280 0.66905440 0.83722956 # 147 O3_s1 0.09189838 0.97068220 0.86621092 # 148 O4_s1 0.36275522 0.81243219 0.81105737 # 149 O5_s1 0.15722065 0.76499387 0.76312615 # 150 O6_s1 0.11139805 0.79371458 0.82413065 # 151 O7_s1 0.40107229 0.85814562 0.87371723 # 152 O8_s1 0.15367086 0.67088962 0.16478532 # 153 O9_s1 0.39973808 0.70208148 0.13861832 # 154 O10_s1 0.33110280 0.72460995 0.20038619 # 155 O11_s1 0.09189838 0.69290443 0.22936754 # 156 O12_s1 0.36275522 0.86798775 0.17421400 # 157 O13_s1 0.15722065 0.82054943 0.12628277 # 158 O14_s1 0.11139805 0.84927013 0.18728728 # 159 O15_s1 0.40107229 0.91370117 0.23687385 # 160 O16_s1 0.15367086 0.72644518 0.29215400 # 161 O17_s1 0.39973808 0.75763703 0.26598700 # 162 O18_s1 0.33110280 0.78016551 0.32775486 # 163 O19_s1 0.09189838 0.74845998 0.35673622 # 164 O20_s1 0.36275522 0.92354330 0.30158267 # 165 O21_s1 0.15722065 0.87610498 0.25365145 # 166 O22_s1 0.11139805 0.90482569 0.31465595 # 167 O23_s1 0.40107229 0.96925673 0.36424253 # 168 O24_s1 0.15367086 0.78200074 0.41952267 # 169 O25_s1 0.39973808 0.81319259 0.39335567 # 170 O26_s1 0.33110280 0.83572107 0.45512354 # 171 O27_s1 0.09189838 0.80401554 0.48410489 # 172 O28_s1 0.36275522 0.97909886 0.42895135 # 173 O29_s1 0.15722065 0.93166054 0.38102012 # 174 O30_s1 0.11139805 0.96038124 0.44202463 # 175 O31_s1 0.40107229 0.69147895 0.49161120 # 176 O32_s1 0.15367086 0.83755629 0.54689135 # 177 O33_s1 0.39973808 0.86874814 0.52072435 # 178 O34_s1 0.33110280 0.89127662 0.58249221 # 179 O35_s1 0.09189838 0.85957109 0.61147357 # 180 O36_s1 0.36275522 0.70132108 0.55632002 # 181 O37_s1 0.15722065 0.98721609 0.50838880 # 182 O38_s1 0.11139805 0.68260347 0.56939330 # 183 O39_s1 0.40107229 0.74703451 0.61897988 # 184 O40_s1 0.15367086 0.89311185 0.67426002 # 185 O41_s1 0.39973808 0.92430370 0.64809302 # 186 O42_s1 0.33110280 0.94683218 0.70986089 # 187 O43_s1 0.09189838 0.91512665 0.73884224 # 188 O44_s1 0.36275522 0.75687664 0.68368870 # 189 O45_s1 0.15722065 0.70943832 0.63575747 # 190 O46_s1 0.11139805 0.73815902 0.69676198 # 191 O47_s1 0.40107229 0.80259006 0.74634855 # 192 O48_s1 0.65367086 0.94866740 0.80162870 # 193 O49_s1 0.89973808 0.97985925 0.77546170 # 194 O50_s1 0.83110280 0.66905440 0.83722956 # 195 O51_s1 0.59189838 0.97068220 0.86621092 # 196 O52_s1 0.86275522 0.81243219 0.81105737 # 197 O53_s1 0.65722065 0.76499387 0.76312615 # 198 O54_s1 0.61139805 0.79371458 0.82413065 # 199 O55_s1 0.90107229 0.85814562 0.87371723 # 200 O56_s1 0.65367086 0.67088962 0.16478532 # 201 O57_s1 0.89973808 0.70208148 0.13861832 # 202 O58_s1 0.83110280 0.72460995 0.20038619 # 203 O59_s1 0.59189838 0.69290443 0.22936754 # 204 O60_s1 0.86275522 0.86798775 0.17421400 # 205 O61_s1 0.65722065 0.82054943 0.12628277 # 206 O62_s1 0.61139805 0.84927013 0.18728728 # 207 O63_s1 0.90107229 0.91370117 0.23687385 # 208 O64_s1 0.65367086 0.72644518 0.29215400 # 209 O65_s1 0.89973808 0.75763703 0.26598700 # 210 O66_s1 0.83110280 0.78016551 0.32775486 # 211 O67_s1 0.59189838 0.74845998 0.35673622 # 212 O68_s1 0.86275522 0.92354330 0.30158267 # 213 O69_s1 0.65722065 0.87610498 0.25365145 # 214 O70_s1 0.61139805 0.90482569 0.31465595 # 215 O71_s1 0.90107229 0.96925673 0.36424253 # 216 O72_s1 0.65367086 0.78200074 0.41952267 # 217 O73_s1 0.89973808 0.81319259 0.39335567 # 218 O74_s1 0.83110280 0.83572107 0.45512354 # 219 O75_s1 0.59189838 0.80401554 0.48410489 # 220 O76_s1 0.86275522 0.97909886 0.42895135 # 221 O77_s1 0.65722065 0.93166054 0.38102012 # 222 O78_s1 0.61139805 0.96038124 0.44202463 # 223 O79_s1 0.90107229 0.69147895 0.49161120 # 224 O80_s1 0.65367086 0.83755629 0.54689135 # 225 O81_s1 0.89973808 0.86874814 0.52072435 # 226 O82_s1 0.83110280 0.89127662 0.58249221 # 227 O83_s1 0.59189838 0.85957109 0.61147357 # 228 O84_s1 0.86275522 0.70132108 0.55632002 # 229 O85_s1 0.65722065 0.98721609 0.50838880 # 230 O86_s1 0.61139805 0.68260347 0.56939330 # 231 O87_s1 0.90107229 0.74703451 0.61897988 # 232 O88_s1 0.65367086 0.89311185 0.67426002 # 233 O89_s1 0.89973808 0.92430370 0.64809302 # 234 O90_s1 0.83110280 0.94683218 0.70986089 # 235 O91_s1 0.59189838 0.91512665 0.73884224 # 236 O92_s1 0.86275522 0.75687664 0.68368870 # 237 O93_s1 0.65722065 0.70943832 0.63575747 # 238 O94_s1 0.61139805 0.73815902 0.69676198 # 239 O95_s1 0.90107229 0.80259006 0.74634855 # 240 O96_s1 0.15367086 0.61533407 0.80162870 # 241 O97_s1 0.39973808 0.64652592 0.77546170 # 242 O98_s1 0.33110280 0.33572107 0.83722956 # 243 O99_s1 0.09189838 0.63734887 0.86621092 # 244 O100_s1 0.36275522 0.47909886 0.81105737 # 245 O101_s1 0.15722065 0.43166054 0.76312615 # 246 O102_s1 0.11139805 0.46038124 0.82413065 # 247 O103_s1 0.40107229 0.52481228 0.87371723 # 248 O104_s1 0.15367086 0.33755629 0.16478532 # 249 O105_s1 0.39973808 0.36874814 0.13861832 # 250 O106_s1 0.33110280 0.39127662 0.20038619 # 251 O107_s1 0.09189838 0.35957109 0.22936754 # 252 O108_s1 0.36275522 0.53465442 0.17421400 # 253 O109_s1 0.15722065 0.48721609 0.12628277 # 254 O110_s1 0.11139805 0.51593680 0.18728728 # 255 O111_s1 0.40107229 0.58036784 0.23687385 # 256 O112_s1 0.15367086 0.39311185 0.29215400 # 257 O113_s1 0.39973808 0.42430370 0.26598700 # 258 O114_s1 0.33110280 0.44683218 0.32775486 # 259 O115_s1 0.09189838 0.41512665 0.35673622 # 260 O116_s1 0.36275522 0.59020997 0.30158267 # 261 O117_s1 0.15722065 0.54277165 0.25365145 # 262 O118_s1 0.11139805 0.57149235 0.31465595 # 263 O119_s1 0.40107229 0.63592339 0.36424253 # 264 O120_s1 0.15367086 0.44866740 0.41952267 # 265 O121_s1 0.39973808 0.47985925 0.39335567 # 266 O122_s1 0.33110280 0.50238773 0.45512354 # 267 O123_s1 0.09189838 0.47068220 0.48410489 # 268 O124_s1 0.36275522 0.64576553 0.42895135 # 269 O125_s1 0.15722065 0.59832721 0.38102012 # 270 O126_s1 0.11139805 0.62704791 0.44202463 # 271 O127_s1 0.40107229 0.35814562 0.49161120 # 272 O128_s1 0.15367086 0.50422296 0.54689135 # 273 O129_s1 0.39973808 0.53541481 0.52072435 # 274 O130_s1 0.33110280 0.55794329 0.58249221 # 275 O131_s1 0.09189838 0.52623776 0.61147357 # 276 O132_s1 0.36275522 0.36798775 0.55632002 # 277 O133_s1 0.15722065 0.65388276 0.50838880 # 278 O134_s1 0.11139805 0.34927013 0.56939330 # 279 O135_s1 0.40107229 0.41370117 0.61897988 # 280 O136_s1 0.15367086 0.55977851 0.67426002 # 281 O137_s1 0.39973808 0.59097036 0.64809302 # 282 O138_s1 0.33110280 0.61349884 0.70986089 # 283 O139_s1 0.09189838 0.58179331 0.73884224 # 284 O140_s1 0.36275522 0.42354330 0.68368870 # 285 O141_s1 0.15722065 0.37610498 0.63575747 # 286 O142_s1 0.11139805 0.40482569 0.69676198 # 287 O143_s1 0.40107229 0.46925673 0.74634855 # 288 O144_s1 0.65367086 0.61533407 0.80162870 # 289 O145_s1 0.89973808 0.64652592 0.77546170 # 290 O146_s1 0.83110280 0.33572107 0.83722956 # 291 O147_s1 0.59189838 0.63734887 0.86621092 # 292 O148_s1 0.86275522 0.47909886 0.81105737 # 293 O149_s1 0.65722065 0.43166054 0.76312615 # 294 O150_s1 0.61139805 0.46038124 0.82413065 # 295 O151_s1 0.90107229 0.52481228 0.87371723 # 296 O152_s1 0.65367086 0.33755629 0.16478532 # 297 O153_s1 0.89973808 0.36874814 0.13861832 # 298 O154_s1 0.83110280 0.39127662 0.20038619 # 299 O155_s1 0.59189838 0.35957109 0.22936754 # 300 O156_s1 0.86275522 0.53465442 0.17421400 # 301 O157_s1 0.65722065 0.48721609 0.12628277 # 302 O158_s1 0.61139805 0.51593680 0.18728728 # 303 O159_s1 0.90107229 0.58036784 0.23687385 # 304 O160_s1 0.65367086 0.39311185 0.29215400 # 305 O161_s1 0.89973808 0.42430370 0.26598700 # 306 O162_s1 0.83110280 0.44683218 0.32775486 # 307 O163_s1 0.59189838 0.41512665 0.35673622 # 308 O164_s1 0.86275522 0.59020997 0.30158267 # 309 O165_s1 0.65722065 0.54277165 0.25365145 # 310 O166_s1 0.61139805 0.57149235 0.31465595 # 311 O167_s1 0.90107229 0.63592339 0.36424253 # 312 O168_s1 0.65367086 0.44866740 0.41952267 # 313 O169_s1 0.89973808 0.47985925 0.39335567 # 314 O170_s1 0.83110280 0.50238773 0.45512354 # 315 O171_s1 0.59189838 0.47068220 0.48410489 # 316 O172_s1 0.86275522 0.64576553 0.42895135 # 317 O173_s1 0.65722065 0.59832721 0.38102012 # 318 O174_s1 0.61139805 0.62704791 0.44202463 # 319 O175_s1 0.90107229 0.35814562 0.49161120 # 320 O176_s1 0.65367086 0.50422296 0.54689135 # 321 O177_s1 0.89973808 0.53541481 0.52072435 # 322 O178_s1 0.83110280 0.55794329 0.58249221 # 323 O179_s1 0.59189838 0.52623776 0.61147357 # 324 O180_s1 0.86275522 0.36798775 0.55632002 # 325 O181_s1 0.65722065 0.65388276 0.50838880 # 326 O182_s1 0.61139805 0.34927013 0.56939330 # 327 O183_s1 0.90107229 0.41370117 0.61897988 # 328 O184_s1 0.65367086 0.55977851 0.67426002 # 329 O185_s1 0.89973808 0.59097036 0.64809302 # 330 O186_s1 0.83110280 0.61349884 0.70986089 # 331 O187_s1 0.59189838 0.58179331 0.73884224 # 332 O188_s1 0.86275522 0.42354330 0.68368870 # 333 O189_s1 0.65722065 0.37610498 0.63575747 # 334 O190_s1 0.61139805 0.40482569 0.69676198 # 335 O191_s1 0.90107229 0.46925673 0.74634855 # 336 O192_s1 0.15367086 0.28200074 0.80162870 # 337 O193_s1 0.39973808 0.31319259 0.77546170 # 338 O194_s1 0.33110280 0.00238773 0.83722956 # 339 O195_s1 0.09189838 0.30401554 0.86621092 # 340 O196_s1 0.36275522 0.14576553 0.81105737 # 341 O197_s1 0.15722065 0.09832721 0.76312615 # 342 O198_s1 0.11139805 0.12704791 0.82413065 # 343 O199_s1 0.40107229 0.19147895 0.87371723 # 344 O200_s1 0.15367086 0.00422296 0.16478532 # 345 O201_s1 0.39973808 0.03541481 0.13861832 # 346 O202_s1 0.33110280 0.05794329 0.20038619 # 347 O203_s1 0.09189838 0.02623776 0.22936754 # 348 O204_s1 0.36275522 0.20132108 0.17421400 # 349 O205_s1 0.15722065 0.15388276 0.12628277 # 350 O206_s1 0.11139805 0.18260347 0.18728728 # 351 O207_s1 0.40107229 0.24703451 0.23687385 # 352 O208_s1 0.15367086 0.05977851 0.29215400 # 353 O209_s1 0.39973808 0.09097036 0.26598700 # 354 O210_s1 0.33110280 0.11349884 0.32775486 # 355 O211_s1 0.09189838 0.08179331 0.35673622 # 356 O212_s1 0.36275522 0.25687664 0.30158267 # 357 O213_s1 0.15722065 0.20943832 0.25365145 # 358 O214_s1 0.11139805 0.23815902 0.31465595 # 359 O215_s1 0.40107229 0.30259006 0.36424253 # 360 O216_s1 0.15367086 0.11533407 0.41952267 # 361 O217_s1 0.39973808 0.14652592 0.39335567 # 362 O218_s1 0.33110280 0.16905440 0.45512354 # 363 O219_s1 0.09189838 0.13734887 0.48410489 # 364 O220_s1 0.36275522 0.31243219 0.42895135 # 365 O221_s1 0.15722065 0.26499387 0.38102012 # 366 O222_s1 0.11139805 0.29371458 0.44202463 # 367 O223_s1 0.40107229 0.02481228 0.49161120 # 368 O224_s1 0.15367086 0.17088962 0.54689135 # 369 O225_s1 0.39973808 0.20208148 0.52072435 # 370 O226_s1 0.33110280 0.22460995 0.58249221 # 371 O227_s1 0.09189838 0.19290443 0.61147357 # 372 O228_s1 0.36275522 0.03465442 0.55632002 # 373 O229_s1 0.15722065 0.32054943 0.50838880 # 374 O230_s1 0.11139805 0.01593680 0.56939330 # 375 O231_s1 0.40107229 0.08036784 0.61897988 # 376 O232_s1 0.15367086 0.22644518 0.67426002 # 377 O233_s1 0.39973808 0.25763703 0.64809302 # 378 O234_s1 0.33110280 0.28016551 0.70986089 # 379 O235_s1 0.09189838 0.24845998 0.73884224 # 380 O236_s1 0.36275522 0.09020997 0.68368870 # 381 O237_s1 0.15722065 0.04277165 0.63575747 # 382 O238_s1 0.11139805 0.07149235 0.69676198 # 383 O239_s1 0.40107229 0.13592339 0.74634855 # 384 O240_s1 0.65367086 0.28200074 0.80162870 # 385 O241_s1 0.89973808 0.31319259 0.77546170 # 386 O242_s1 0.83110280 0.00238773 0.83722956 # 387 O243_s1 0.59189838 0.30401554 0.86621092 # 388 O244_s1 0.86275522 0.14576553 0.81105737 # 389 O245_s1 0.65722065 0.09832721 0.76312615 # 390 O246_s1 0.61139805 0.12704791 0.82413065 # 391 O247_s1 0.90107229 0.19147895 0.87371723 # 392 O248_s1 0.65367086 0.00422296 0.16478532 # 393 O249_s1 0.89973808 0.03541481 0.13861832 # 394 O250_s1 0.83110280 0.05794329 0.20038619 # 395 O251_s1 0.59189838 0.02623776 0.22936754 # 396 O252_s1 0.86275522 0.20132108 0.17421400 # 397 O253_s1 0.65722065 0.15388276 0.12628277 # 398 O254_s1 0.61139805 0.18260347 0.18728728 # 399 O255_s1 0.90107229 0.24703451 0.23687385 # 400 O256_s1 0.65367086 0.05977851 0.29215400 # 401 O257_s1 0.89973808 0.09097036 0.26598700 # 402 O258_s1 0.83110280 0.11349884 0.32775486 # 403 O259_s1 0.59189838 0.08179331 0.35673622 # 404 O260_s1 0.86275522 0.25687664 0.30158267 # 405 O261_s1 0.65722065 0.20943832 0.25365145 # 406 O262_s1 0.61139805 0.23815902 0.31465595 # 407 O263_s1 0.90107229 0.30259006 0.36424253 # 408 O264_s1 0.65367086 0.11533407 0.41952267 # 409 O265_s1 0.89973808 0.14652592 0.39335567 # 410 O266_s1 0.83110280 0.16905440 0.45512354 # 411 O267_s1 0.59189838 0.13734887 0.48410489 # 412 O268_s1 0.86275522 0.31243219 0.42895135 # 413 O269_s1 0.65722065 0.26499387 0.38102012 # 414 O270_s1 0.61139805 0.29371458 0.44202463 # 415 O271_s1 0.90107229 0.02481228 0.49161120 # 416 O272_s1 0.65367086 0.17088962 0.54689135 # 417 O273_s1 0.89973808 0.20208148 0.52072435 # 418 O274_s1 0.83110280 0.22460995 0.58249221 # 419 O275_s1 0.59189838 0.19290443 0.61147357 # 420 O276_s1 0.86275522 0.03465442 0.55632002 # 421 O277_s1 0.65722065 0.32054943 0.50838880 # 422 O278_s1 0.61139805 0.01593680 0.56939330 # 423 O279_s1 0.90107229 0.08036784 0.61897988 # 424 O280_s1 0.65367086 0.22644518 0.67426002 # 425 O281_s1 0.89973808 0.25763703 0.64809302 # 426 O282_s1 0.83110280 0.28016551 0.70986089 # 427 O283_s1 0.59189838 0.24845998 0.73884224 # 428 O284_s1 0.86275522 0.09020997 0.68368870 # 429 O285_s1 0.65722065 0.04277165 0.63575747 # 430 O286_s1 0.61139805 0.07149235 0.69676198 # 431 O287_s1 0.90107229 0.13592339 0.74634855 # 432 O288_s1 0.06944444 0.15277778 0.97418643 # 433 Ti1_s2 0.06944444 0.15277778 0.07744072 # 434 Ti2_s2 0.09722222 0.01388889 0.02581357 # 435 Ti3_s2 0.29166667 0.04166667 0.97418643 # 436 Ti4_s2 0.09722222 0.01388889 0.92255928 # 437 Ti5_s2 0.29166667 0.04166667 0.07744072 # 438 Ti6_s2 0.01388889 0.43055556 0.97418643 # 439 Ti7_s2 0.01388889 0.43055556 0.07744072 # 440 Ti8_s2 0.04166667 0.29166667 0.02581357 # 441 Ti9_s2 0.23611111 0.31944444 0.97418643 # 442 Ti10_s2 0.04166667 0.29166667 0.92255928 # 443 Ti11_s2 0.23611111 0.31944444 0.07744072 # 444 Ti12_s2 0.26388889 0.18055556 0.02581357 # 445 Ti13_s2 0.45833333 0.20833333 0.97418643 # 446 Ti14_s2 0.26388889 0.18055556 0.92255928 # 447 Ti15_s2 0.45833333 0.20833333 0.07744072 # 448 Ti16_s2 0.48611111 0.06944444 0.02581357 # 449 Ti17_s2 0.68055556 0.09722222 0.97418643 # 450 Ti18_s2 0.48611111 0.06944444 0.92255928 # 451 Ti19_s2 0.68055556 0.09722222 0.07744072 # 452 Ti20_s2 0.18055556 0.59722222 0.97418643 # 453 Ti21_s2 0.18055556 0.59722222 0.07744072 # 454 Ti22_s2 0.20833333 0.45833333 0.02581357 # 455 Ti23_s2 0.40277778 0.48611111 0.97418643 # 456 Ti24_s2 0.20833333 0.45833333 0.92255928 # 457 Ti25_s2 0.40277778 0.48611111 0.07744072 # 458 Ti26_s2 0.43055556 0.34722222 0.02581357 # 459 Ti27_s2 0.62500000 0.37500000 0.97418643 # 460 Ti28_s2 0.43055556 0.34722222 0.92255928 # 461 Ti29_s2 0.62500000 0.37500000 0.07744072 # 462 Ti30_s2 0.65277778 0.23611111 0.02581357 # 463 Ti31_s2 0.84722222 0.26388889 0.97418643 # 464 Ti32_s2 0.65277778 0.23611111 0.92255928 # 465 Ti33_s2 0.84722222 0.26388889 0.07744072 # 466 Ti34_s2 0.87500000 0.12500000 0.02581357 # 467 Ti35_s2 0.87500000 0.12500000 0.92255928 # 468 Ti36_s2 0.12500000 0.87500000 0.97418643 # 469 Ti37_s2 0.12500000 0.87500000 0.07744072 # 470 Ti38_s2 0.15277778 0.73611111 0.02581357 # 471 Ti39_s2 0.34722222 0.76388889 0.97418643 # 472 Ti40_s2 0.15277778 0.73611111 0.92255928 # 473 Ti41_s2 0.34722222 0.76388889 0.07744072 # 474 Ti42_s2 0.37500000 0.62500000 0.02581357 # 475 Ti43_s2 0.56944444 0.65277778 0.97418643 # 476 Ti44_s2 0.37500000 0.62500000 0.92255928 # 477 Ti45_s2 0.56944444 0.65277778 0.07744072 # 478 Ti46_s2 0.59722222 0.51388889 0.02581357 # 479 Ti47_s2 0.79166667 0.54166667 0.97418643 # 480 Ti48_s2 0.59722222 0.51388889 0.92255928 # 481 Ti49_s2 0.79166667 0.54166667 0.07744072 # 482 Ti50_s2 0.81944444 0.40277778 0.02581357 # 483 Ti51_s2 0.81944444 0.40277778 0.92255928 # 484 Ti52_s2 0.31944444 0.90277778 0.02581357 # 485 Ti53_s2 0.51388889 0.93055556 0.97418643 # 486 Ti54_s2 0.31944444 0.90277778 0.92255928 # 487 Ti55_s2 0.51388889 0.93055556 0.07744072 # 488 Ti56_s2 0.54166667 0.79166667 0.02581357 # 489 Ti57_s2 0.73611111 0.81944444 0.97418643 # 490 Ti58_s2 0.54166667 0.79166667 0.92255928 # 491 Ti59_s2 0.73611111 0.81944444 0.07744072 # 492 Ti60_s2 0.76388889 0.68055556 0.02581357 # 493 Ti61_s2 0.95833333 0.70833333 0.97418643 # 494 Ti62_s2 0.76388889 0.68055556 0.92255928 # 495 Ti63_s2 0.95833333 0.70833333 0.07744072 # 496 Ti64_s2 0.98611111 0.56944444 0.02581357 # 497 Ti65_s2 0.98611111 0.56944444 0.92255928 # 498 Ti66_s2 0.70833333 0.95833333 0.02581357 # 499 Ti67_s2 0.90277778 0.98611111 0.97418643 # 500 Ti68_s2 0.70833333 0.95833333 0.92255928 # 501 Ti69_s2 0.90277778 0.98611111 0.07744072 # 502 Ti70_s2 0.93055556 0.84722222 0.02581357 # 503 Ti71_s2 0.93055556 0.84722222 0.92255928 # 504 Ti72_s2 0.06944444 0.15277778 0.92255928 # 505 N1_s2 0.06944444 0.15277778 0.02581357 # 506 N2_s2 0.09722222 0.01388889 0.07744072 # 507 N3_s2 0.29166667 0.04166667 0.92255928 # 508 N4_s2 0.09722222 0.01388889 0.97418643 # 509 N5_s2 0.29166667 0.04166667 0.02581357 # 510 N6_s2 0.01388889 0.43055556 0.92255928 # 511 N7_s2 0.01388889 0.43055556 0.02581357 # 512 N8_s2 0.04166667 0.29166667 0.07744072 # 513 N9_s2 0.23611111 0.31944444 0.92255928 # 514 N10_s2 0.04166667 0.29166667 0.97418643 # 515 N11_s2 0.23611111 0.31944444 0.02581357 # 516 N12_s2 0.26388889 0.18055556 0.07744072 # 517 N13_s2 0.45833333 0.20833333 0.92255928 # 518 N14_s2 0.26388889 0.18055556 0.97418643 # 519 N15_s2 0.45833333 0.20833333 0.02581357 # 520 N16_s2 0.48611111 0.06944444 0.07744072 # 521 N17_s2 0.68055556 0.09722222 0.92255928 # 522 N18_s2 0.48611111 0.06944444 0.97418643 # 523 N19_s2 0.68055556 0.09722222 0.02581357 # 524 N20_s2 0.18055556 0.59722222 0.92255928 # 525 N21_s2 0.18055556 0.59722222 0.02581357 # 526 N22_s2 0.20833333 0.45833333 0.07744072 # 527 N23_s2 0.40277778 0.48611111 0.92255928 # 528 N24_s2 0.20833333 0.45833333 0.97418643 # 529 N25_s2 0.40277778 0.48611111 0.02581357 # 530 N26_s2 0.43055556 0.34722222 0.07744072 # 531 N27_s2 0.62500000 0.37500000 0.92255928 # 532 N28_s2 0.43055556 0.34722222 0.97418643 # 533 N29_s2 0.62500000 0.37500000 0.02581357 # 534 N30_s2 0.65277778 0.23611111 0.07744072 # 535 N31_s2 0.84722222 0.26388889 0.92255928 # 536 N32_s2 0.65277778 0.23611111 0.97418643 # 537 N33_s2 0.84722222 0.26388889 0.02581357 # 538 N34_s2 0.87500000 0.12500000 0.07744072 # 539 N35_s2 0.87500000 0.12500000 0.97418643 # 540 N36_s2 0.12500000 0.87500000 0.92255928 # 541 N37_s2 0.12500000 0.87500000 0.02581357 # 542 N38_s2 0.15277778 0.73611111 0.07744072 # 543 N39_s2 0.34722222 0.76388889 0.92255928 # 544 N40_s2 0.15277778 0.73611111 0.97418643 # 545 N41_s2 0.34722222 0.76388889 0.02581357 # 546 N42_s2 0.37500000 0.62500000 0.07744072 # 547 N43_s2 0.56944444 0.65277778 0.92255928 # 548 N44_s2 0.37500000 0.62500000 0.97418643 # 549 N45_s2 0.56944444 0.65277778 0.02581357 # 550 N46_s2 0.59722222 0.51388889 0.07744072 # 551 N47_s2 0.79166667 0.54166667 0.92255928 # 552 N48_s2 0.59722222 0.51388889 0.97418643 # 553 N49_s2 0.79166667 0.54166667 0.02581357 # 554 N50_s2 0.81944444 0.40277778 0.07744072 # 555 N51_s2 0.81944444 0.40277778 0.97418643 # 556 N52_s2 0.31944444 0.90277778 0.07744072 # 557 N53_s2 0.51388889 0.93055556 0.92255928 # 558 N54_s2 0.31944444 0.90277778 0.97418643 # 559 N55_s2 0.51388889 0.93055556 0.02581357 # 560 N56_s2 0.54166667 0.79166667 0.07744072 # 561 N57_s2 0.73611111 0.81944444 0.92255928 # 562 N58_s2 0.54166667 0.79166667 0.97418643 # 563 N59_s2 0.73611111 0.81944444 0.02581357 # 564 N60_s2 0.76388889 0.68055556 0.07744072 # 565 N61_s2 0.95833333 0.70833333 0.92255928 # 566 N62_s2 0.76388889 0.68055556 0.97418643 # 567 N63_s2 0.95833333 0.70833333 0.02581357 # 568 N64_s2 0.98611111 0.56944444 0.07744072 # 569 N65_s2 0.98611111 0.56944444 0.97418643 # 570 N66_s2 0.70833333 0.95833333 0.07744072 # 571 N67_s2 0.90277778 0.98611111 0.92255928 # 572 N68_s2 0.70833333 0.95833333 0.97418643 # 573 N69_s2 0.90277778 0.98611111 0.02581357 # 574 N70_s2 0.93055556 0.84722222 0.07744072 # 575 N71_s2 0.93055556 0.84722222 0.97418643 # 576 N72_s2