205
Lattice="     14.89978981       0.00000000       0.00000000       0.00000000      13.65641975       0.00000000       0.00000000       0.00000000      15.38266182" Properties=species:S:1:pos:R:3
C -1.5118097 0.8728438 3.7380469
C -3.0236208 3.4913774 3.7380469
C 0.0 1.74569 6.2543512
C -1.5118126 4.3642235 6.2543512
C -1.5118097 -4.3642244 3.7380469
C -3.0236208 -1.74569 3.7380469
C 0.0 -3.4913774 6.2543512
C -1.5118126 -0.8728438 6.2543512
C 1.5118127 0.8728438 3.7380469
C 1.4513387e-06 3.4913774 3.7380469
C 3.0236208 1.74569 6.2543512
C 1.5118097 4.3642235 6.2543512
C 1.5118127 -4.3642244 3.7380469
C 1.4513387e-06 -1.74569 3.7380469
C 3.0236208 -3.4913774 6.2543512
C 1.5118097 -0.8728438 6.2543512
C 4.5354347 0.8728438 3.7380469
C 3.0236237 3.4913774 3.7380469
C 6.0472431 1.74569 6.2543512
C 4.5354319 4.3642235 6.2543512
C 4.5354347 -4.3642244 3.7380469
C 3.0236237 -1.74569 3.7380469
C 6.0472431 -3.4913774 6.2543512
C 4.5354319 -0.8728438 6.2543512
C -4.5354309 0.8728438 3.7380469
C -6.0472431 3.4913774 3.7380469
C -3.0236237 1.74569 6.2543512
C -4.5354347 4.3642235 6.2543512
C -4.5354309 -4.3642244 3.7380469
C -6.0472431 -1.74569 3.7380469
C -3.0236237 -3.4913774 6.2543512
C -4.5354347 -0.8728438 6.2543512
Ti -3.0236225 0.0 4.9961996
Ti -1.5118097 0.8728438 7.5689583
Ti 0.0 1.74569 2.4234417
Ti -3.0236208 3.4913774 7.5689583
Ti -1.511811 2.6185341 4.9961996
Ti -1.5118126 4.3642235 2.4234417
Ti -3.0236225 5.2370677 4.9961996
Ti -1.5118097 -4.3642244 7.5689583
Ti 0.0 -3.4913774 2.4234417
Ti -3.0236208 -1.74569 7.5689583
Ti -1.511811 -2.6185339 4.9961996
Ti -1.5118126 -0.8728438 2.4234417
Ti 0.0 0.0 4.9961996
Ti 1.5118127 0.8728438 7.5689583
Ti 3.0236208 1.74569 2.4234417
Ti 1.4513387e-06 3.4913774 7.5689583
Ti 1.5118113 2.6185341 4.9961996
Ti 1.5118097 4.3642235 2.4234417
Ti 0.0 5.2370677 4.9961996
Ti 1.5118127 -4.3642244 7.5689583
Ti 3.0236208 -3.4913774 2.4234417
Ti 1.4513387e-06 -1.74569 7.5689583
Ti 1.5118113 -2.6185339 4.9961996
Ti 1.5118097 -0.8728438 2.4234417
Ti 3.0236228 0.0 4.9961996
Ti 4.5354347 0.8728438 7.5689583
Ti 6.0472431 1.74569 2.4234417
Ti 3.0236237 3.4913774 7.5689583
Ti 4.5354333 2.6185341 4.9961996
Ti 4.5354319 4.3642235 2.4234417
Ti 3.0236228 5.2370677 4.9961996
Ti 4.5354347 -4.3642244 7.5689583
Ti 6.0472431 -3.4913774 2.4234417
Ti 3.0236237 -1.74569 7.5689583
Ti 4.5354333 -2.6185339 4.9961996
Ti 4.5354319 -0.8728438 2.4234417
Ti -6.0472436 0.0 4.9961996
Ti -4.5354309 0.8728438 7.5689583
Ti -3.0236237 1.74569 2.4234417
Ti -6.0472431 3.4913774 7.5689583
Ti -4.5354333 2.6185341 4.9961996
Ti -4.5354347 4.3642235 2.4234417
Ti -6.0472436 5.2370677 4.9961996
Ti -4.5354309 -4.3642244 7.5689583
Ti -3.0236237 -3.4913774 2.4234417
Ti -6.0472431 -1.74569 7.5689583
Ti -4.5354333 -2.6185339 4.9961996
Ti -4.5354347 -0.8728438 2.4234417
H -1.7777143 -3.8626536 -4.4306059
H -2.991428 -3.0031927 -3.962323
H 3.3988376 -2.0498347 -3.8832582
H 3.7891481 -3.6010633 -4.2572022
H -3.1774931 4.3362661 -0.9426392
H -1.811763 3.9843056 -0.4762833
H 5.4900041 -5.1312747 -4.5309487
H 4.3537121 -5.3268666 -3.3989773
H 0.0712058 -4.961042 -1.5616926
H 0.1228136 -3.9740002 -2.6782089
H -3.3979764 -1.5297239 -0.727381
H -4.8874622 -1.5092401 -0.919136
H 5.4242387 0.1022091 -5.7719393
H 5.883483 1.489324 -5.1238823
H -2.5770681 -3.1895509 -2.2038152
H -1.4029007 -3.5222667 -1.2573289
H -0.1095789 -0.4727564 -4.9395752
H -0.5916192 -1.92839 -5.329732
H -4.1401863 0.6305049 -1.0904505
H -3.9414282 2.2414036 -0.9263786
H -4.1833644 2.4330409 -4.5687208
H -4.8910012 2.0606093 -3.2034535
H 3.6442678 2.0798941 -4.4739247
H 3.9480448 3.6758573 -4.3836684
H 1.2644575 -3.4654455 -4.4699955
H 0.5265829 5.6026459 -4.7795935
H -3.7308262 -0.9095306 -3.4253681
H -2.5147271 -1.0785476 -4.463861
H 5.8001337 5.1784635 -0.8832764
H 4.4708901 6.0171609 -1.0656354
H -3.9968964 5.3303423 -4.1567836
H -5.1079941 3.977258 -4.0032134
H -2.303494 2.4393702 -5.8722144
H -2.1407158 2.4588952 -4.3298965
H -1.2853696 0.8776084 -2.0580566
H -1.0495219 2.4472108 -2.1979113
H 3.5576134 3.648968 -1.0389555
H 3.2316697 2.7658086 -2.2678888
H 2.371743 -1.7874648 -1.0658956
H 2.5680964 -0.1682059 -0.5456773
H -7.7518473 1.4759979 -1.0040809
H 5.889328 1.2331849 -1.453004
H -1.406396 -1.4550847 -1.6141403
H -0.0225687 -0.8516952 -1.2295628
H -4.6052156 5.3759847 -2.1995575
H -4.2551837 6.3989229 -1.0626154
H 0.135879 1.1042866 -3.7122143
H 1.5599447 0.600654 -4.2126413
H -6.9524866 -2.1932833 -0.2884399
H -6.7865429 -0.8076018 -1.0724034
H 4.0790844 0.2990058 -3.6566811
H 3.0314441 -0.4718048 -2.597239
H -5.6461864 -3.8030572 -3.583585
H 5.813088 -2.5878597 -2.556108
H 1.3568416 -7.0930977 -1.3820417
H 0.3155362 -6.9580812 -2.540556
H 2.1744435 -4.0520639 -1.1499506
H 2.9823686 -3.2996531 -2.2055819
H 1.789595 3.4360526 -4.3277455
H 0.4869963 3.12537 -4.9989858
H 5.8216582 -1.6650293 -4.7545576
H 7.1479425 -1.6112783 -5.3984389
O -3.0830672 0.012578 1.5047215
O -3.0645111 -0.0319334 -7.6682387
O -1.5955463 2.6511939 1.5495759
O -1.495432 2.635433 -7.6616922
O -2.987989 5.1305585 1.5565243
O -3.1154208 -5.1628361 -7.6220641
O -1.6008765 -2.4854112 1.4628674
O -1.4754573 -2.562166 -7.6929007
O -0.0271246 0.0497628 1.549294
O 0.0387275 0.0826164 -7.7936206
O 1.4465522 2.4920273 1.4350046
O 1.5159655 2.6659351 -7.5798702
O -0.0071949 -5.3206248 1.4538664
O -0.02468 -5.1806526 -7.5981632
O 1.3958089 -2.5995043 1.4802208
O 1.5334834 -2.529069 -7.6612325
O 2.9549792 -0.0483167 1.4431181
O 3.0666785 0.0255991 -7.694614
O 4.4728856 2.5780339 1.5183538
O 4.5534849 2.7315314 -7.8137036
O 3.0044682 5.1505313 1.5156515
O 3.0203557 5.2315669 -7.7770014
O 4.406764 -2.5351761 1.4641786
O 4.5907231 -2.6197405 -7.7564025
O 6.0332575 0.0767994 1.4778033
O -6.0035806 0.0347507 -7.8030114
O -4.5688024 2.7294929 1.4062463
O -4.5068674 2.6977096 -7.6057167
O 6.0226393 -5.3387199 1.4200304
O -6.1123743 -5.2227111 -7.6279125
O -4.5905156 -2.6694296 1.4537628
O -4.5943775 -2.5894118 -7.6509257
O -2.6347058 -3.9295838 -3.9218376
O 3.0829358 -2.9784286 -3.9246992
O -2.5301519 3.609649 -1.0345372
O 4.4960199 -5.1827769 -4.3594456
O 0.0678159 -3.9604846 -1.6951857
O -4.0839124 -0.941338 -1.1443757
O 5.0425506 0.9385828 -5.3265886
O -2.330199 -3.1007628 -1.228769
O -0.9202626 -1.0410256 -5.0548797
O -4.4210344 1.5418176 -1.4226778
O -5.0646925 2.5654812 -4.0523181
O 3.4195228 2.9010802 -3.9332326
O 0.3316656 6.5633216 -4.4798165
O -3.4220381 -1.4762475 -4.1931968
O 4.8109002 5.130291 -0.9965264
O -4.9063444 5.0405469 -3.8491852
O -2.6288543 2.8856506 -5.0612292
O -1.0896467 1.6296095 -2.68815
O 3.1334848 2.7513151 -1.2597934
O 2.0979033 -0.8421714 -1.1564654
O 5.0360684 0.8347479 -1.1148118
O -0.9711942 -0.5667919 -1.4306073
O -4.7008786 5.5264116 -1.2318394
O 0.7210689 0.9746726 -4.5156021
O -6.4676094 -1.775806 -1.0208223
O 3.3478513 -0.3546718 -3.5542639
O 5.9211316 -2.9104832 -3.5006986
O 0.4322037 -6.7828388 -1.5775748
O 2.8969126 -3.4158454 -1.236917
O 0.9717316 3.9050032 -4.7061382
O 6.2210603 -1.4105674 -5.6321817

