../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
A7B4_aP110_2_35i_20i
a b/a c/a alpha beta gamma x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 x12 y12 z12 x13 y13 z13 x14 y14 z14 x15 y15 z15 x16 y16 z16 x17 y17 z17 x18 y18 z18 x19 y19 z19 x20 y20 z20 x21 y21 z21 x22 y22 z22 x23 y23 z23 x24 y24 z24 x25 y25 z25 x26 y26 z26 x27 y27 z27 x28 y28 z28 x29 y29 z29 x30 y30 z30 x31 y31 z31 x32 y32 z32 x33 y33 z33 x34 y34 z34 x35 y35 z35 x36 y36 z36 x37 y37 z37 x38 y38 z38 x39 y39 z39 x40 y40 z40 x41 y41 z41 x42 y42 z42 x43 y43 z43 x44 y44 z44 x45 y45 z45 x46 y46 z46 x47 y47 z47 x48 y48 z48 x49 y49 z49 x50 y50 z50 x51 y51 z51 x52 y52 z52 x53 y53 z53 x54 y54 z54 x55 y55 z55
standard
1
7.1046 1.6197534 2.1737325 92.0556 92.6153 91.9852 0.30621647 0.12186687 0.82261157 0.40620144 0.87087542 0.033952867 0.87719853 0.31768695 0.21897047 0.13087428 0.10496402 0.26083053 0.52874362 0.70520604 0.75070809 0.35696638 0.28459949 0.68427694 0.62416213 0.095166784 0.71494406 0.56655363 0.87485851 0.61005428 0.81837916 0.66633617 0.63199633 0.16054242 0.88453107 0.88548547 0.53912063 0.91557235 0.85878046 0.93863436 0.50178375 0.34834838 0.73595034 0.095795107 0.27718674 0.011925498 0.89349026 0.31206667 0.93657728 0.67182424 0.20585044 0.21680526 0.46899291 0.23394904 0.67789341 0.91893134 0.41914762 0.93219351 0.70382424 0.46263812 0.20960132 0.30055117 0.11200011 0.14434906 0.069439193 0.0057786538 0.32327242 0.31098682 0.94472828 0.42663958 0.69483633 0.9122609 0.36858661 0.46960406 0.80886652 0.60734617 0.27031673 0.83437029 0.081526883 0.72265384 0.018483218 0.33344551 0.50410356 0.061619695 0.72616995 0.10623082 0.55158364 0.81848114 0.48788821 0.51309356 0.7614824 0.27134826 0.40744077 0.017330794 0.067541295 0.43221139 0.50409267 0.51707947 0.62184517 0.73420406 0.31687658 0.65816181 0.14154373 0.90679 0.14252019 0.94530296 0.49136538 0.076773539 0.53970205 0.69883322 0.4792112 0.12300101 0.39607043 0.0072566398 0.35643775 0.17794714 0.038533617 0.32778864 0.2932672 0.80615724 0.43392031 0.92677407 0.15931816 0.5225431 0.19485624 0.60644469 0.23043244 0.024323855 0.35785309 0.28026726 0.90873085 0.59076079 0.042720641 0.12368065 0.56153898 0.081350555 0.0049243854 0.79214919 0.15830406 0.77346106 0.23939128 0.15533811 0.27545771 0.23925873 0.081435894 0.50897202 0.79008948 0.038067034 0.62687179 0.55891751 0.28007267 0.40562515 0.59068799 0.23825073 0.52536434 0.3607419 0.47365042 0.30546722 0.39077427 0.43135035 0.4246957 0.15876573 0.32315375 0.79606498 0.80669568 0.35934946 0.6774603 0.038968652 0.12275771 0.89137546 0.0076124864
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000