No title                                
   1.00000000000000     
    13.8353400000000004    0.0000000000000000    0.0000000000000000
     0.0000000000000000   13.8353400000000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000   24.7679599999999986
   Ti   O    Si   N    C    H 
    72   145     1     1     5    16
Selective dynamics
Direct
  0.0038589700000031  0.1667174299999985  0.5885359199999982   T   T   T
  0.1715916200000009  0.3328857500000026  0.2710667099999995   F   F   F
  0.0072444300000001  0.1638974399999995  0.4581624699999978   T   T   T
  0.1715916200000009  0.3328857500000026  0.3898488000000029   F   F   F
  0.0049249500000030  0.1662190799999976  0.3304577600000016   F   F   F
  0.1753201799999999  0.3308626700000019  0.5055769100000020   T   T   T
  0.0049249500000030  0.1662190799999976  0.2116756699999982   F   F   F
  0.1720724199999992  0.3327876999999972  0.6214600200000007   T   T   T
  0.0053762499999976  0.4986217100000019  0.5878464099999974   T   T   T
  0.1715916200000009  0.6662190799999976  0.2710667099999995   F   F   F
  0.0079994399999990  0.4967230000000029  0.4582081799999997   T   T   T
  0.1715916200000009  0.6662190799999976  0.3898488000000029   F   F   F
  0.0049249500000030  0.4995524200000006  0.3304577600000016   F   F   F
  0.1745326400000025  0.6630958100000015  0.5056229400000021   T   T   T
  0.0049249500000030  0.4995524200000006  0.2116756699999982   F   F   F
  0.1713755700000021  0.6662072100000032  0.6215808800000033   T   T   T
  0.0047422100000034  0.8327478100000008  0.5880248599999973   T   T   T
  0.1715916200000009  0.9995524200000006  0.2710667099999995   F   F   F
  0.0072949899999983  0.8300365899999989  0.4583102699999984   T   T   T
  0.1715916200000009  0.9995524200000006  0.3898488000000029   F   F   F
  0.0049249500000030  0.8328857500000026  0.3304577600000016   F   F   F
  0.1729010500000001  0.9980157500000004  0.5053083600000008   T   T   T
  0.0049249500000030  0.8328857500000026  0.2116756699999982   F   F   F
  0.1703861599999996  0.0005728399999967  0.6214606200000006   T   T   T
  0.3380729699999989  0.1658836800000003  0.5878630799999982   T   T   T
  0.5049249500000030  0.3328857500000026  0.2710667099999995   F   F   F
  0.3411836200000025  0.1636446500000019  0.4581848899999983   T   T   T
  0.5049249500000030  0.3328857500000026  0.3898488000000029   F   F   F
  0.3382582799999980  0.1662190799999976  0.3304577600000016   F   F   F
  0.5075911099999999  0.3301233800000034  0.5055806800000013   T   T   T
  0.3382582799999980  0.1662190799999976  0.2116756699999982   F   F   F
  0.5052455800000004  0.3320316599999984  0.6214377800000008   T   T   T
  0.3406227500000014  0.5013232000000016  0.5893627199999969   T   T   T
  0.5049249500000030  0.6662190799999976  0.2710667099999995   F   F   F
  0.3424813700000016  0.4980932699999983  0.4587938800000018   T   T   T
  0.5049249500000030  0.6662190799999976  0.3898488000000029   F   F   F
  0.3382582799999980  0.4995524200000006  0.3304577600000016   F   F   F
  0.5081839699999975  0.6639222800000013  0.5091390600000025   T   T   T
  0.3382582799999980  0.4995524200000006  0.2116756699999982   F   F   F
  0.4998927500000008  0.6679780500000021  0.6303712400000023   T   T   T
  0.3334623000000008  0.8375610900000012  0.5850272699999977   T   T   T
  0.5049249500000030  0.9995524200000006  0.2710667099999995   F   F   F
  0.3414271999999983  0.8296379700000003  0.4576223299999995   T   T   T
  0.5049249500000030  0.9995524200000006  0.3898488000000029   F   F   F
  0.3382582799999980  0.8328857500000026  0.3304577600000016   F   F   F
  0.5079993599999995  0.9964048699999992  0.5055910600000004   T   T   T
  0.3382582799999980  0.8328857500000026  0.2116756699999982   F   F   F
  0.5044681099999977  0.9992668499999979  0.6215428599999981   T   T   T
  0.6719849500000024  0.1654694300000017  0.5880474200000023   T   T   T
  0.8382582799999980  0.3328857500000026  0.2710667099999995   F   F   F
  0.6742141499999974  0.1632387000000008  0.4582633500000028   T   T   T
  0.8382582799999980  0.3328857500000026  0.3898488000000029   F   F   F
  0.6715916200000009  0.1662190799999976  0.3304577600000016   F   F   F
  0.8411712199999997  0.3298412299999995  0.5054040200000003   T   T   T
  0.6715916200000009  0.1662190799999976  0.2116756699999982   F   F   F
  0.8376543899999973  0.3330323400000026  0.6215191399999966   T   T   T
  0.6735571600000014  0.4976266899999970  0.5857244099999974   T   T   T
  0.8382582799999980  0.6662190799999976  0.2710667099999995   F   F   F
  0.6740145300000009  0.4972651499999969  0.4575359000000034   T   T   T
  0.8382582799999980  0.6662190799999976  0.3898488000000029   F   F   F
  0.6715916200000009  0.4995524200000006  0.3304577600000016   F   F   F
  0.8412277199999991  0.6634408399999998  0.5057635599999983   T   T   T
  0.6715916200000009  0.4995524200000006  0.2116756699999982   F   F   F
  0.8385575799999998  0.6652851099999992  0.6218325099999973   T   T   T
  0.6682582899999971  0.8292993199999970  0.5892202499999968   T   T   T
  0.8382582799999980  0.9995524200000006  0.2710667099999995   F   F   F
  0.6735496499999982  0.8288791900000021  0.4587765500000032   T   T   T
  0.8382582799999980  0.9995524200000006  0.3898488000000029   F   F   F
  0.6715916200000009  0.8328857500000026  0.3304577600000016   F   F   F
  0.8401529400000030  0.9960772599999999  0.5056869499999976   T   T   T
  0.6715916200000009  0.8328857500000026  0.2116756699999982   F   F   F
  0.8373803899999999  0.9982852400000013  0.6214321699999985   T   T   T
  0.1048940800000011  0.2650083500000022  0.5727993100000006   T   T   T
  0.2656249500000030  0.2388524200000006  0.2710667099999995   F   F   F
  0.0775582799999981  0.0935857500000026  0.2710667099999995   F   F   F
  0.2384155499999991  0.0667426899999981  0.5721921000000023   T   T   T
  0.1061856500000005  0.2664283699999999  0.4525360399999983   T   T   T
  0.2656249500000030  0.2388524200000006  0.3898488000000029   F   F   F
  0.0775582799999981  0.0935857500000026  0.3898488000000029   F   F   F
  0.2378396000000009  0.0652330400000025  0.4522129300000017   T   T   T
  0.0989582799999980  0.2602524200000005  0.3304577600000016   F   F   F
  0.2736087500000011  0.2312181400000028  0.5131725800000027   T   T   T
  0.0713738199999980  0.0994613700000002  0.5126226100000011   T   T   T
  0.2442249500000031  0.0721857500000027  0.3304577600000016   F   F   F
  0.0989582799999980  0.2602524200000005  0.2116756699999982   F   F   F
  0.2668803199999985  0.2364952900000006  0.6368164300000032   T   T   T
  0.0754944600000016  0.0953047300000023  0.6374414000000002   T   T   T
  0.2442249500000031  0.0721857500000027  0.2116756699999982   F   F   F
  0.1047938600000009  0.5983438499999991  0.5726136500000010   T   T   T
  0.2656249500000030  0.5721857500000027  0.2710667099999995   F   F   F
  0.0775582799999981  0.4269190799999976  0.2710667099999995   F   F   F
  0.2391827200000023  0.3993457300000003  0.5726981600000016   T   T   T
  0.1062338999999994  0.5993747400000018  0.4521667200000010   T   T   T
  0.2656249500000030  0.5721857500000027  0.3898488000000029   F   F   F
  0.0775582799999981  0.4269190799999976  0.3898488000000029   F   F   F
  0.2384200899999982  0.3986286499999991  0.4523337899999973   T   T   T
  0.0989582799999980  0.5935857500000026  0.3304577600000016   F   F   F
  0.2734039300000006  0.5645899800000009  0.5134119000000013   T   T   T
  0.0717207200000018  0.4330266400000014  0.5131078799999997   T   T   T
  0.2442249500000031  0.4055190799999977  0.3304577600000016   F   F   F
  0.0989582799999980  0.5935857500000026  0.2116756699999982   F   F   F
  0.2652235500000018  0.5704752799999966  0.6376015199999969   T   T   T
  0.0762816000000015  0.4272445800000000  0.6369366400000018   T   T   T
  0.2442249500000031  0.4055190799999977  0.2116756699999982   F   F   F
  0.1041201600000008  0.9324699800000005  0.5723023899999973   T   T   T
  0.2656249500000030  0.9055190799999977  0.2710667099999995   F   F   F
  0.0775582799999981  0.7602524200000005  0.2710667099999995   F   F   F
  0.2363530399999973  0.7334317199999987  0.5718539399999969   T   T   T
  0.1057047899999972  0.9331895600000024  0.4521648999999996   T   T   T
  0.2656249500000030  0.9055190799999977  0.3898488000000029   F   F   F
  0.0775582799999981  0.7602524200000005  0.3898488000000029   F   F   F
  0.2380259800000033  0.7316439900000020  0.4523091499999978   T   T   T
  0.0989582799999980  0.9269190799999976  0.3304577600000016   F   F   F
  0.2727348599999999  0.8981567000000013  0.5123004699999996   T   T   T
  0.0710134099999991  0.7659796200000031  0.5126848800000019   T   T   T
  0.2442249500000031  0.7388524200000006  0.3304577600000016   F   F   F
  0.0989582799999980  0.9269190799999976  0.2116756699999982   F   F   F
  0.2642228400000022  0.9066986899999989  0.6371789499999991   T   T   T
  0.0761197899999999  0.7612128600000005  0.6370655300000010   T   T   T
  0.2442249500000031  0.7388524200000006  0.2116756699999982   F   F   F
  0.4379895900000008  0.2646418300000022  0.5725001100000000   T   T   T
  0.5989582799999980  0.2388524200000006  0.2710667099999995   F   F   F
  0.4108916200000010  0.0935857500000026  0.2710667099999995   F   F   F
  0.5726179099999982  0.0659768499999984  0.5726695899999967   T   T   T
  0.4392204000000035  0.2663249000000008  0.4521358900000010   T   T   T
  0.5989582799999980  0.2388524200000006  0.3898488000000029   F   F   F
  0.4108916200000010  0.0935857500000026  0.3898488000000029   F   F   F
  0.5717322100000004  0.0647698599999984  0.4521541399999975   T   T   T
  0.4322916200000009  0.2602524200000005  0.3304577600000016   F   F   F
  0.6063802400000000  0.2304737099999983  0.5127025199999977   T   T   T
  0.4050101699999971  0.0999716399999997  0.5126122899999999   T   T   T
  0.5775582799999981  0.0721857500000027  0.3304577600000016   F   F   F
  0.4322916200000009  0.2602524200000005  0.2116756699999982   F   F   F
  0.6002210600000026  0.2360321700000014  0.6370297200000010   T   T   T
  0.4095160199999981  0.0946136000000024  0.6369624900000019   T   T   T
  0.5775582799999981  0.0721857500000027  0.2116756699999982   F   F   F
  0.4368742400000016  0.5977693000000031  0.5762146000000001   T   T   T
  0.5989582799999980  0.5721857500000027  0.2710667099999995   F   F   F
  0.4108916200000010  0.4269190799999976  0.2710667099999995   F   F   F
  0.5730763500000009  0.3963301900000005  0.5718122500000007   T   T   T
  0.4403226800000013  0.6002464099999969  0.4539115299999992   T   T   T
  0.5989582799999980  0.5721857500000027  0.3898488000000029   F   F   F
  0.4108916200000010  0.4269190799999976  0.3898488000000029   F   F   F
  0.5713115300000027  0.3983857500000028  0.4522698899999966   T   T   T
  0.4322916200000009  0.5935857500000026  0.3304577600000016   F   F   F
  0.6071692100000021  0.5638649999999998  0.5133691999999996   T   T   T
  0.4052998800000012  0.4328901299999970  0.5132866399999969   T   T   T
  0.5775582799999981  0.4055190799999977  0.3304577600000016   F   F   F
  0.4322916200000009  0.5935857500000026  0.2116756699999982   F   F   F
  0.6051829199999972  0.5667588999999964  0.6308681399999969   T   T   T
  0.4100960099999966  0.4256170900000029  0.6377772199999967   T   T   T
  0.5775582799999981  0.4055190799999977  0.2116756699999982   F   F   F
  0.4372704499999998  0.9347783699999965  0.5715854099999973   T   T   T
  0.5989582799999980  0.9055190799999977  0.2710667099999995   F   F   F
  0.4108916200000010  0.7602524200000005  0.2710667099999995   F   F   F
  0.5726434700000027  0.7330863500000007  0.5763387699999996   T   T   T
  0.4393670999999983  0.9330688599999988  0.4522454299999978   T   T   T
  0.5989582799999980  0.9055190799999977  0.3898488000000029   F   F   F
  0.4108916200000010  0.7602524200000005  0.3898488000000029   F   F   F
  0.5710157999999979  0.7309010000000029  0.4537716399999994   T   T   T
  0.4322916200000009  0.9269190799999976  0.3304577600000016   F   F   F
  0.6062027600000022  0.8973494199999976  0.5133787099999978   T   T   T
  0.4044612799999996  0.7666343100000006  0.5126460600000016   T   T   T
  0.5775582799999981  0.7388524200000006  0.3304577600000016   F   F   F
  0.4322916200000009  0.9269190799999976  0.2116756699999982   F   F   F
  0.5995463200000017  0.9050670999999966  0.6377868800000002   T   T   T
  0.4048712900000027  0.7672064599999970  0.6308607899999998   T   T   T
  0.5775582799999981  0.7388524200000006  0.2116756699999982   F   F   F
  0.7712153399999977  0.2649526300000034  0.5722777900000011   T   T   T
  0.9322916200000009  0.2388524200000006  0.2710667099999995   F   F   F
  0.7442249500000031  0.0935857500000026  0.2710667099999995   F   F   F
  0.9054691199999994  0.0657644400000024  0.5728945299999992   T   T   T
  0.7733384799999996  0.2655650299999976  0.4521517299999971   T   T   T
  0.9322916200000009  0.2388524200000006  0.3898488000000029   F   F   F
  0.7442249500000031  0.0935857500000026  0.3898488000000029   F   F   F
  0.9046037000000027  0.0648611900000020  0.4525515799999980   T   T   T
  0.7656249500000030  0.2602524200000005  0.3304577600000016   F   F   F
  0.9401523499999982  0.2307185499999989  0.5134256600000029   T   T   T
  0.7378691500000016  0.0992959800000008  0.5131434099999979   T   T   T
  0.9108916200000010  0.0721857500000027  0.3304577600000016   F   F   F
  0.7656249500000030  0.2602524200000005  0.2116756699999982   F   F   F
  0.9337591600000010  0.2368662299999968  0.6374697700000027   T   T   T
  0.7431443999999985  0.0943966999999972  0.6370683600000007   T   T   T
  0.9108916200000010  0.0721857500000027  0.2116756699999982   F   F   F
  0.7748386600000003  0.5976396399999970  0.5718035100000023   T   T   T
  0.9322916200000009  0.5721857500000027  0.2710667099999995   F   F   F
  0.7442249500000031  0.4269190799999976  0.2710667099999995   F   F   F
  0.9057528599999998  0.3994321899999989  0.5722251700000029   T   T   T
  0.7728254100000029  0.5998090900000008  0.4523374300000000   T   T   T
  0.9322916200000009  0.5721857500000027  0.3898488000000029   F   F   F
  0.7442249500000031  0.4269190799999976  0.3898488000000029   F   F   F
  0.9054463299999966  0.3977128599999986  0.4521909199999996   T   T   T
  0.7656249500000030  0.5935857500000026  0.3304577600000016   F   F   F
  0.9406010200000026  0.5644595500000023  0.5127148600000027   T   T   T
  0.7389896299999990  0.4320139299999965  0.5112318400000007   T   T   T
  0.9108916200000010  0.4055190799999977  0.3304577600000016   F   F   F
  0.7656249500000030  0.5935857500000026  0.2116756699999982   F   F   F
  0.9349591699999991  0.5702978999999999  0.6367721399999979   T   T   T
  0.7454598400000023  0.4254304099999970  0.6379695500000011   T   T   T
  0.9108916200000010  0.4055190799999977  0.2116756699999982   F   F   F
  0.7711040100000019  0.9314490900000010  0.5726513800000035   T   T   T
  0.9322916200000009  0.9055190799999977  0.2710667099999995   F   F   F
  0.7442249500000031  0.7602524200000005  0.2710667099999995   F   F   F
  0.9060810599999982  0.7330105099999997  0.5728247099999990   T   T   T
  0.7724568000000005  0.9326683399999993  0.4523662100000010   T   T   T
  0.9322916200000009  0.9055190799999977  0.3898488000000029   F   F   F
  0.7442249500000031  0.7602524200000005  0.3898488000000029   F   F   F
  0.9047244699999979  0.7318986499999980  0.4522089100000031   T   T   T
  0.7656249500000030  0.9269190799999976  0.3304577600000016   F   F   F
  0.9397556899999984  0.8975009400000005  0.5132484000000019   T   T   T
  0.7380054099999995  0.7655116099999972  0.5132494599999973   T   T   T
  0.9108916200000010  0.7388524200000006  0.3304577600000016   F   F   F
  0.7656249500000030  0.9269190799999976  0.2116756699999982   F   F   F
  0.9340169199999977  0.9038814099999968  0.6370137299999996   T   T   T
  0.7445263899999972  0.7605552699999976  0.6376903600000006   T   T   T
  0.9108916200000010  0.7388524200000006  0.2116756699999982   F   F   F
  0.4978859000000000  0.6566224199999979  0.7051584299999973   T   T   T
  0.4738171899999983  0.6601632499999965  0.8402016100000012   T   T   T
  0.6150731600000015  0.6471544999999992  0.8115431299999969   T   T   T
  0.3982725299999998  0.5548313099999973  0.8214253499999984   T   T   T
  0.4893674599999969  0.6590805800000012  0.9142756000000034   T   T   T
  0.4189947099999998  0.7758726200000012  0.8174193099999982   T   T   T
  0.6709992700000029  0.7284043300000036  0.7970643399999986   T   T   T
  0.6624100000000013  0.5561609900000022  0.8113765700000002   T   T   T
  0.3877596499999996  0.5531847399999990  0.7781327900000008   T   T   T
  0.4274945900000020  0.4851007199999984  0.8346751999999995   T   T   T
  0.3281270100000029  0.5620679100000032  0.8402138300000033   T   T   T
  0.5225573299999979  0.5920392100000029  0.9283032700000007   T   T   T
  0.5337929399999979  0.7198323200000019  0.9268240099999971   T   T   T
  0.4206441700000028  0.6649001500000011  0.9342411299999966   T   T   T
  0.3469724899999989  0.7790473299999974  0.8324947500000022   T   T   T
  0.4559463000000008  0.8396678900000012  0.8313097799999980   T   T   T
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