Energy of formation for Interfaces: (Zr3HfO8)2 and (TiO2)4 (job 196)
1.0
10.49770000 0.00000000 0.00000000
-3.38456124 22.48792838 0.00000000
0.00000000 0.00000000 16.95080924
Zr O Hf Ti
54 232 18 44
Direct
0.29802745 0.12695714 0.51283392 # 1 Zr1_s1
0.29802745 0.12695714 0.20516661 # 2 Zr2_s1
0.35400922 0.01609800 0.33307660 # 3 Zr3_s1
0.74247190 0.23806825 0.51283392 # 4 Zr4_s1
0.74247190 0.23806825 0.20516661 # 5 Zr5_s1
0.53535605 0.20659329 0.66695825 # 6 Zr6_s1
0.53535605 0.20659329 0.35929093 # 7 Zr7_s1
0.59123668 0.09573247 0.79483339 # 8 Zr8_s1
0.79845367 0.12720911 0.33307660 # 9 Zr9_s1
0.85358301 0.01584603 0.51283392 # 10 Zr10_s1
0.85358301 0.01584603 0.20516661 # 11 Zr11_s1
0.92457002 0.42906580 0.79483339 # 12 Zr12_s1
0.13178700 0.46054244 0.33307660 # 13 Zr13_s1
0.18691634 0.34917937 0.51283392 # 14 Zr14_s1
0.18691634 0.34917937 0.20516661 # 15 Zr15_s1
0.97980049 0.31770440 0.66695825 # 16 Zr16_s1
0.97980049 0.31770440 0.35929093 # 17 Zr17_s1
0.03568113 0.20684358 0.79483339 # 18 Zr18_s1
0.24289811 0.23832022 0.33307660 # 19 Zr19_s1
0.09091160 0.09548218 0.66695825 # 20 Zr20_s1
0.09091160 0.09548218 0.35929093 # 21 Zr21_s1
0.52024968 0.68251270 0.51283392 # 22 Zr22_s1
0.52024968 0.68251270 0.20516661 # 23 Zr23_s1
0.31313383 0.65103774 0.66695825 # 24 Zr24_s1
0.31313383 0.65103774 0.35929093 # 25 Zr25_s1
0.36901446 0.54017691 0.79483339 # 26 Zr26_s1
0.57623145 0.57165356 0.33307660 # 27 Zr27_s1
0.63136079 0.46029048 0.51283392 # 28 Zr28_s1
0.63136079 0.46029048 0.20516661 # 29 Zr29_s1
0.42424494 0.42881552 0.66695825 # 30 Zr30_s1
0.42424494 0.42881552 0.35929093 # 31 Zr31_s1
0.48012557 0.31795469 0.79483339 # 32 Zr32_s1
0.68734256 0.34943133 0.33307660 # 33 Zr33_s1
0.90956478 0.90498689 0.33307660 # 34 Zr34_s1
0.96469412 0.79362381 0.51283392 # 35 Zr35_s1
0.96469412 0.79362381 0.20516661 # 36 Zr36_s1
0.75757827 0.76214885 0.66695825 # 37 Zr37_s1
0.75757827 0.76214885 0.35929093 # 38 Zr38_s1
0.81345891 0.65128802 0.79483339 # 39 Zr39_s1
0.02067589 0.68276467 0.33307660 # 40 Zr40_s1
0.07580523 0.57140159 0.51283392 # 41 Zr41_s1
0.07580523 0.57140159 0.20516661 # 42 Zr42_s1
0.86868938 0.53992663 0.66695825 # 43 Zr43_s1
0.86868938 0.53992663 0.35929093 # 44 Zr44_s1
0.14679224 0.98462136 0.79483339 # 45 Zr45_s1
0.40913857 0.90473492 0.51283392 # 46 Zr46_s1
0.40913857 0.90473492 0.20516661 # 47 Zr47_s1
0.20202271 0.87325996 0.66695825 # 48 Zr48_s1
0.20202271 0.87325996 0.35929093 # 49 Zr49_s1
0.25790335 0.76239913 0.79483339 # 50 Zr50_s1
0.46512033 0.79387578 0.33307660 # 51 Zr51_s1
0.64646716 0.98437107 0.66695825 # 52 Zr52_s1
0.64646716 0.98437107 0.35929093 # 53 Zr53_s1
0.70234779 0.87351024 0.79483339 # 54 Zr54_s1
0.37395515 0.17729368 0.60592019 # 55 O1_s1
0.37395515 0.17729368 0.29825287 # 56 O2_s1
0.19622771 0.05387034 0.57873453 # 57 O3_s1
0.19622771 0.05387034 0.27106721 # 58 O4_s1
0.43166619 0.06668283 0.54882206 # 59 O5_s1
0.43166619 0.06668283 0.24115474 # 60 O6_s1
0.24742327 0.05681088 0.72829308 # 61 O7_s1
0.24742327 0.05681088 0.42062577 # 62 O8_s1
0.81839960 0.28840479 0.60592019 # 63 O9_s1
0.81839960 0.28840479 0.29825287 # 64 O10_s1
0.45955957 0.15510710 0.75923254 # 65 O11_s1
0.45955957 0.15510710 0.45156522 # 66 O12_s1
0.58423770 0.27646001 0.57399394 # 67 O13_s1
0.58423770 0.27646001 0.26632662 # 68 O14_s1
0.63619538 0.27959682 0.73381412 # 69 O15_s1
0.63619538 0.27959682 0.42614681 # 70 O16_s1
0.64067215 0.16498146 0.57873453 # 71 O17_s1
0.64067215 0.16498146 0.27106721 # 72 O18_s1
0.51432784 0.04435298 0.70376505 # 73 O19_s1
0.51432784 0.04435298 0.39609774 # 74 O20_s1
0.87611064 0.17779394 0.54882206 # 75 O21_s1
0.87611064 0.17779394 0.24115474 # 76 O22_s1
0.92951071 0.06618257 0.60592019 # 77 O23_s1
0.92951071 0.06618257 0.29825287 # 78 O24_s1
0.69534881 0.05423779 0.57399394 # 79 O25_s1
0.69534881 0.05423779 0.26632662 # 80 O26_s1
0.69186772 0.16792199 0.72829308 # 81 O27_s1
0.69186772 0.16792199 0.42062577 # 82 O28_s1
0.74730649 0.05737460 0.73381412 # 83 O29_s1
0.74730649 0.05737460 0.42614681 # 84 O30_s1
0.84766117 0.37768632 0.70376505 # 85 O31_s1
0.84766117 0.37768632 0.39609774 # 86 O32_s1
0.20944397 0.51112727 0.54882206 # 87 O33_s1
0.20944397 0.51112727 0.24115474 # 88 O34_s1
0.26284404 0.39951590 0.60592019 # 89 O35_s1
0.26284404 0.39951590 0.29825287 # 90 O36_s1
0.90400402 0.26621821 0.75923254 # 91 O37_s1
0.90400402 0.26621821 0.45156522 # 92 O38_s1
0.02868214 0.38757113 0.57399394 # 93 O39_s1
0.02868214 0.38757113 0.26632662 # 94 O40_s1
0.02520105 0.50125532 0.72829308 # 95 O41_s1
0.02520105 0.50125532 0.42062577 # 96 O42_s1
0.08063982 0.39070793 0.73381412 # 97 O43_s1
0.08063982 0.39070793 0.42614681 # 98 O44_s1
0.08511660 0.27609257 0.57873453 # 99 O45_s1
0.08511660 0.27609257 0.27106721 # 100 O46_s1
0.95877228 0.15546409 0.70376505 # 101 O47_s1
0.95877228 0.15546409 0.39609774 # 102 O48_s1
0.32055508 0.28890505 0.54882206 # 103 O49_s1
0.32055508 0.28890505 0.24115474 # 104 O50_s1
0.01511513 0.04399599 0.75923254 # 105 O51_s1
0.01511513 0.04399599 0.45156522 # 106 O52_s1
0.13979325 0.16534890 0.57399394 # 107 O53_s1
0.13979325 0.16534890 0.26632662 # 108 O54_s1
0.13631216 0.27903310 0.72829308 # 109 O55_s1
0.13631216 0.27903310 0.42062577 # 110 O56_s1
0.19175093 0.16848571 0.73381412 # 111 O57_s1
0.19175093 0.16848571 0.42614681 # 112 O58_s1
0.59617737 0.73284924 0.60592019 # 113 O59_s1
0.59617737 0.73284924 0.29825287 # 114 O60_s1
0.23733735 0.59955154 0.75923254 # 115 O61_s1
0.23733735 0.59955154 0.45156522 # 116 O62_s1
0.41844993 0.60942590 0.57873453 # 117 O63_s1
0.41844993 0.60942590 0.27106721 # 118 O64_s1
0.29210561 0.48879743 0.70376505 # 119 O65_s1
0.29210561 0.48879743 0.39609774 # 120 O66_s1
0.65388841 0.62223838 0.54882206 # 121 O67_s1
0.65388841 0.62223838 0.24115474 # 122 O68_s1
0.70728848 0.51062701 0.60592019 # 123 O69_s1
0.70728848 0.51062701 0.29825287 # 124 O70_s1
0.34844846 0.37732932 0.75923254 # 125 O71_s1
0.34844846 0.37732932 0.45156522 # 126 O72_s1
0.47312659 0.49868224 0.57399394 # 127 O73_s1
0.47312659 0.49868224 0.26632662 # 128 O74_s1
0.46964550 0.61236644 0.72829308 # 129 O75_s1
0.46964550 0.61236644 0.42062577 # 130 O76_s1
0.52508427 0.50181904 0.73381412 # 131 O77_s1
0.52508427 0.50181904 0.42614681 # 132 O78_s1
0.52956104 0.38720368 0.57873453 # 133 O79_s1
0.52956104 0.38720368 0.27106721 # 134 O80_s1
0.40321673 0.26657521 0.70376505 # 135 O81_s1
0.40321673 0.26657521 0.39609774 # 136 O82_s1
0.76499952 0.40001616 0.54882206 # 137 O83_s1
0.76499952 0.40001616 0.24115474 # 138 O84_s1
0.58075661 0.39014421 0.72829308 # 139 O85_s1
0.58075661 0.39014421 0.42062577 # 140 O86_s1
0.98722175 0.95557172 0.54882206 # 141 O87_s1
0.98722175 0.95557172 0.24115474 # 142 O88_s1
0.04062182 0.84396035 0.60592019 # 143 O89_s1
0.04062182 0.84396035 0.29825287 # 144 O90_s1
0.68178180 0.71066265 0.75923254 # 145 O91_s1
0.68178180 0.71066265 0.45156522 # 146 O92_s1
0.80645992 0.83201557 0.57399394 # 147 O93_s1
0.80645992 0.83201557 0.26632662 # 148 O94_s1
0.85841760 0.83515238 0.73381412 # 149 O95_s1
0.85841760 0.83515238 0.42614681 # 150 O96_s1
0.86289437 0.72053701 0.57873453 # 151 O97_s1
0.86289437 0.72053701 0.27106721 # 152 O98_s1
0.73655006 0.59990854 0.70376505 # 153 O99_s1
0.73655006 0.59990854 0.39609774 # 154 O100_s1
0.09833286 0.73334950 0.54882206 # 155 O101_s1
0.09833286 0.73334950 0.24115474 # 156 O102_s1
0.15173293 0.62173812 0.60592019 # 157 O103_s1
0.15173293 0.62173812 0.29825287 # 158 O104_s1
0.79289291 0.48844043 0.75923254 # 159 O105_s1
0.79289291 0.48844043 0.45156522 # 160 O106_s1
0.91757103 0.60979335 0.57399394 # 161 O107_s1
0.91757103 0.60979335 0.26632662 # 162 O108_s1
0.91408994 0.72347755 0.72829308 # 163 O109_s1
0.91408994 0.72347755 0.42062577 # 164 O110_s1
0.96952871 0.61293016 0.73381412 # 165 O111_s1
0.96952871 0.61293016 0.42614681 # 166 O112_s1
0.97400548 0.49831479 0.57873453 # 167 O113_s1
0.97400548 0.49831479 0.27106721 # 168 O114_s1
0.06988339 0.93324187 0.70376505 # 169 O115_s1
0.06988339 0.93324187 0.39609774 # 170 O116_s1
0.48506626 0.95507146 0.60592019 # 171 O117_s1
0.48506626 0.95507146 0.29825287 # 172 O118_s1
0.12622624 0.82177376 0.75923254 # 173 O119_s1
0.12622624 0.82177376 0.45156522 # 174 O120_s1
0.25090437 0.94312668 0.57399394 # 175 O121_s1
0.25090437 0.94312668 0.26632662 # 176 O122_s1
0.30286205 0.94626349 0.73381412 # 177 O123_s1
0.30286205 0.94626349 0.42614681 # 178 O124_s1
0.30733882 0.83164812 0.57873453 # 179 O125_s1
0.30733882 0.83164812 0.27106721 # 180 O126_s1
0.18099450 0.71101965 0.70376505 # 181 O127_s1
0.18099450 0.71101965 0.39609774 # 182 O128_s1
0.54277730 0.84446061 0.54882206 # 183 O129_s1
0.54277730 0.84446061 0.24115474 # 184 O130_s1
0.36201548 0.72090446 0.57399394 # 185 O131_s1
0.36201548 0.72090446 0.26632662 # 186 O132_s1
0.35853439 0.83458866 0.72829308 # 187 O133_s1
0.35853439 0.83458866 0.42062577 # 188 O134_s1
0.41397316 0.72404127 0.73381412 # 189 O135_s1
0.41397316 0.72404127 0.42614681 # 190 O136_s1
0.57067069 0.93288488 0.75923254 # 191 O137_s1
0.57067069 0.93288488 0.45156522 # 192 O138_s1
0.75178326 0.94275923 0.57873453 # 193 O139_s1
0.75178326 0.94275923 0.27106721 # 194 O140_s1
0.62543895 0.82213076 0.70376505 # 195 O141_s1
0.62543895 0.82213076 0.39609774 # 196 O142_s1
0.80297883 0.94569977 0.72829308 # 197 O143_s1
0.80297883 0.94569977 0.42062577 # 198 O144_s1
0.47235773 0.08292681 0.91282186 # 199 O145_s2
0.16400591 0.00798228 0.91282186 # 200 O146_s2
0.26104957 0.10872137 0.08717814 # 201 O147_s2
0.47235773 0.08292681 0.08717814 # 202 O148_s2
0.16400591 0.00798228 0.08717814 # 203 O149_s2
0.26104957 0.10872137 0.91282186 # 204 O150_s2
0.62468593 0.01781228 0.08717814 # 205 O151_s2
0.62468593 0.01781228 0.91282186 # 206 O152_s2
0.28440498 0.25491500 0.08717814 # 207 O153_s2
0.38144864 0.35565408 0.91282186 # 208 O154_s2
0.28440498 0.25491500 0.91282186 # 209 O155_s2
0.38144864 0.35565408 0.08717814 # 210 O156_s2
0.64804134 0.16400591 0.08717814 # 211 O157_s2
0.74508500 0.26474499 0.91282186 # 212 O158_s2
0.43673318 0.18980047 0.91282186 # 213 O159_s2
0.53377684 0.29053955 0.08717814 # 214 O160_s2
0.64804134 0.16400591 0.91282186 # 215 O161_s2
0.74508500 0.26474499 0.08717814 # 216 O162_s2
0.43673318 0.18980047 0.08717814 # 217 O163_s2
0.53377684 0.29053955 0.91282186 # 218 O164_s2
0.01167770 0.07309681 0.08717814 # 219 O165_s2
0.10872137 0.17383590 0.91282186 # 220 O166_s2
0.80036954 0.09889137 0.91282186 # 221 O167_s2
0.89741321 0.19963046 0.08717814 # 222 O168_s2
0.01167770 0.07309681 0.91282186 # 223 O169_s2
0.10872137 0.17383590 0.08717814 # 224 O170_s2
0.80036954 0.09889137 0.08717814 # 225 O171_s2
0.89741321 0.19963046 0.91282186 # 226 O172_s2
0.55713225 0.43673318 0.08717814 # 227 O173_s2
0.65417591 0.53747226 0.91282186 # 228 O174_s2
0.55713225 0.43673318 0.91282186 # 229 O175_s2
0.65417591 0.53747226 0.08717814 # 230 O176_s2
0.92076861 0.34582409 0.08717814 # 231 O177_s2
0.01781228 0.44656317 0.91282186 # 232 O178_s2
0.70946045 0.37161865 0.91282186 # 233 O179_s2
0.80650412 0.47235773 0.08717814 # 234 O180_s2
0.92076861 0.34582409 0.91282186 # 235 O181_s2
0.01781228 0.44656317 0.08717814 # 236 O182_s2
0.70946045 0.37161865 0.08717814 # 237 O183_s2
0.80650412 0.47235773 0.91282186 # 238 O184_s2
0.07309681 0.28070956 0.91282186 # 239 O185_s2
0.17014048 0.38144864 0.08717814 # 240 O186_s2
0.07309681 0.28070956 0.08717814 # 241 O187_s2
0.17014048 0.38144864 0.91282186 # 242 O188_s2
0.82985952 0.61855136 0.08717814 # 243 O189_s2
0.92690319 0.71929044 0.91282186 # 244 O190_s2
0.82985952 0.61855136 0.91282186 # 245 O191_s2
0.92690319 0.71929044 0.08717814 # 246 O192_s2
0.19349588 0.52764227 0.08717814 # 247 O193_s2
0.29053955 0.62838135 0.91282186 # 248 O194_s2
0.98218772 0.55343683 0.91282186 # 249 O195_s2
0.07923139 0.65417591 0.08717814 # 250 O196_s2
0.19349588 0.52764227 0.91282186 # 251 O197_s2
0.29053955 0.62838135 0.08717814 # 252 O198_s2
0.98218772 0.55343683 0.08717814 # 253 O199_s2
0.07923139 0.65417591 0.91282186 # 254 O200_s2
0.34582409 0.46252774 0.91282186 # 255 O201_s2
0.44286775 0.56326682 0.08717814 # 256 O202_s2
0.34582409 0.46252774 0.08717814 # 257 O203_s2
0.44286775 0.56326682 0.91282186 # 258 O204_s2
0.10258679 0.80036954 0.08717814 # 259 O205_s2
0.19963046 0.90110863 0.91282186 # 260 O206_s2
0.89127863 0.82616410 0.91282186 # 261 O207_s2
0.98832230 0.92690319 0.08717814 # 262 O208_s2
0.10258679 0.80036954 0.91282186 # 263 O209_s2
0.19963046 0.90110863 0.08717814 # 264 O210_s2
0.89127863 0.82616410 0.08717814 # 265 O211_s2
0.98832230 0.92690319 0.91282186 # 266 O212_s2
0.46622316 0.70946045 0.08717814 # 267 O213_s2
0.56326682 0.81019953 0.91282186 # 268 O214_s2
0.25491500 0.73525501 0.91282186 # 269 O215_s2
0.35195866 0.83599409 0.08717814 # 270 O216_s2
0.46622316 0.70946045 0.91282186 # 271 O217_s2
0.56326682 0.81019953 0.08717814 # 272 O218_s2
0.25491500 0.73525501 0.08717814 # 273 O219_s2
0.35195866 0.83599409 0.91282186 # 274 O220_s2
0.61855136 0.64434592 0.91282186 # 275 O221_s2
0.71559502 0.74508500 0.08717814 # 276 O222_s2
0.61855136 0.64434592 0.08717814 # 277 O223_s2
0.71559502 0.74508500 0.91282186 # 278 O224_s2
0.37531407 0.98218772 0.08717814 # 279 O225_s2
0.37531407 0.98218772 0.91282186 # 280 O226_s2
0.73895043 0.89127863 0.08717814 # 281 O227_s2
0.83599409 0.99201772 0.91282186 # 282 O228_s2
0.52764227 0.91707319 0.91282186 # 283 O229_s2
0.73895043 0.89127863 0.91282186 # 284 O230_s2
0.83599409 0.99201772 0.08717814 # 285 O231_s2
0.52764227 0.91707319 0.08717814 # 286 O232_s2
0.35400922 0.01609800 0.64074391 # 287 Hf1_s1
0.59123668 0.09573247 0.48716608 # 288 Hf2_s1
0.79845367 0.12720911 0.64074391 # 289 Hf3_s1
0.92457002 0.42906580 0.48716608 # 290 Hf4_s1
0.13178700 0.46054244 0.64074391 # 291 Hf5_s1
0.03568113 0.20684358 0.48716608 # 292 Hf6_s1
0.24289811 0.23832022 0.64074391 # 293 Hf7_s1
0.36901446 0.54017691 0.48716608 # 294 Hf8_s1
0.57623145 0.57165356 0.64074391 # 295 Hf9_s1
0.48012557 0.31795469 0.48716608 # 296 Hf10_s1
0.68734256 0.34943133 0.64074391 # 297 Hf11_s1
0.90956478 0.90498689 0.64074391 # 298 Hf12_s1
0.81345891 0.65128802 0.48716608 # 299 Hf13_s1
0.02067589 0.68276467 0.64074391 # 300 Hf14_s1
0.14679224 0.98462136 0.48716608 # 301 Hf15_s1
0.25790335 0.76239913 0.48716608 # 302 Hf16_s1
0.46512033 0.79387578 0.64074391 # 303 Hf17_s1
0.70234779 0.87351024 0.48716608 # 304 Hf18_s1
0.13636364 0.09090909 0.91282186 # 305 Ti1_s2
0.13636364 0.09090909 0.08717814 # 306 Ti2_s2
0.45454545 0.13636364 0.08717814 # 307 Ti3_s2
0.40909091 0.27272727 0.91282186 # 308 Ti4_s2
0.45454545 0.13636364 0.91282186 # 309 Ti5_s2
0.40909091 0.27272727 0.08717814 # 310 Ti6_s2
0.81818182 0.04545455 0.08717814 # 311 Ti7_s2
0.77272727 0.18181818 0.91282186 # 312 Ti8_s2
0.81818182 0.04545455 0.91282186 # 313 Ti9_s2
0.77272727 0.18181818 0.08717814 # 314 Ti10_s2
0.72727273 0.31818182 0.08717814 # 315 Ti11_s2
0.68181818 0.45454545 0.91282186 # 316 Ti12_s2
0.72727273 0.31818182 0.91282186 # 317 Ti13_s2
0.68181818 0.45454545 0.08717814 # 318 Ti14_s2
0.09090909 0.22727273 0.08717814 # 319 Ti15_s2
0.04545455 0.36363636 0.91282186 # 320 Ti16_s2
0.09090909 0.22727273 0.91282186 # 321 Ti17_s2
0.04545455 0.36363636 0.08717814 # 322 Ti18_s2
0.63636364 0.59090909 0.08717814 # 323 Ti19_s2
0.63636364 0.59090909 0.91282186 # 324 Ti20_s2
0.00000000 0.50000000 0.08717814 # 325 Ti21_s2
0.95454545 0.63636364 0.91282186 # 326 Ti22_s2
0.00000000 0.50000000 0.91282186 # 327 Ti23_s2
0.95454545 0.63636364 0.08717814 # 328 Ti24_s2
0.36363636 0.40909091 0.08717814 # 329 Ti25_s2
0.31818182 0.54545455 0.91282186 # 330 Ti26_s2
0.36363636 0.40909091 0.91282186 # 331 Ti27_s2
0.31818182 0.54545455 0.08717814 # 332 Ti28_s2
0.90909091 0.77272727 0.08717814 # 333 Ti29_s2
0.90909091 0.77272727 0.91282186 # 334 Ti30_s2
0.27272727 0.68181818 0.08717814 # 335 Ti31_s2
0.22727273 0.81818182 0.91282186 # 336 Ti32_s2
0.27272727 0.68181818 0.91282186 # 337 Ti33_s2
0.22727273 0.81818182 0.08717814 # 338 Ti34_s2
0.59090909 0.72727273 0.91282186 # 339 Ti35_s2
0.59090909 0.72727273 0.08717814 # 340 Ti36_s2
0.18181818 0.95454545 0.08717814 # 341 Ti37_s2
0.18181818 0.95454545 0.91282186 # 342 Ti38_s2
0.54545455 0.86363636 0.08717814 # 343 Ti39_s2
0.50000000 0.00000000 0.91282186 # 344 Ti40_s2
0.54545455 0.86363636 0.91282186 # 345 Ti41_s2
0.50000000 0.00000000 0.08717814 # 346 Ti42_s2
0.86363636 0.90909091 0.91282186 # 347 Ti43_s2
0.86363636 0.90909091 0.08717814 # 348 Ti44_s2