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
  0.0026019499999990  0.1655476600000014  0.5898991299999992   T   T   T
  0.1698270600000029  0.3319905999999975  0.2723504800000001   F   F   F
  0.0045559300000022  0.1639018899999982  0.4594815700000012   T   T   T
  0.1698270600000029  0.3319905999999975  0.3911325700000035   F   F   F
  0.0031603899999979  0.1653239299999996  0.3317415300000022   F   F   F
  0.1725884100000030  0.3308875800000024  0.5068650099999985   T   T   T
  0.0031603899999979  0.1653239299999996  0.2129594399999988   F   F   F
  0.1704827100000017  0.3320923200000010  0.6227099999999979   T   T   T
  0.0039469199999971  0.4973886000000007  0.5888517799999988   T   T   T
  0.1698270600000029  0.6653239299999996  0.2723504800000001   F   F   F
  0.0051379200000028  0.4969192100000015  0.4594659899999982   T   T   T
  0.1698270600000029  0.6653239299999996  0.3911325700000035   F   F   F
  0.0031603899999979  0.4986572700000025  0.3317415300000022   F   F   F
  0.1715496099999996  0.6633480599999970  0.5069012599999994   T   T   T
  0.0031603899999979  0.4986572700000025  0.2129594399999988   F   F   F
  0.1695737399999970  0.6653177999999969  0.6227821499999990   T   T   T
  0.0025330400000030  0.8315617800000012  0.5895644599999983   T   T   T
  0.1698270600000029  0.9986572700000025  0.2723504800000001   F   F   F
  0.0043957800000030  0.8301664099999968  0.4596999500000010   T   T   T
  0.1698270600000029  0.9986572700000025  0.3911325700000035   F   F   F
  0.0031603899999979  0.8319905999999975  0.3317415300000022   F   F   F
  0.1701628699999986  0.9979429400000015  0.5066461199999992   T   T   T
  0.0031603899999979  0.8319905999999975  0.2129594399999988   F   F   F
  0.1687819300000015  0.9991834200000014  0.6227792899999969   T   T   T
  0.3361315599999983  0.1649953200000027  0.5892930500000020   T   T   T
  0.5031603899999979  0.3319905999999975  0.2723504800000001   F   F   F
  0.3383302200000031  0.1637526199999968  0.4594959300000028   T   T   T
  0.5031603899999979  0.3319905999999975  0.3911325700000035   F   F   F
  0.3364937200000000  0.1653239299999996  0.3317415300000022   F   F   F
  0.5047884000000025  0.3303317299999975  0.5068577600000026   T   T   T
  0.3364937200000000  0.1653239299999996  0.2129594399999988   F   F   F
  0.5033269199999992  0.3312058100000002  0.6227194499999982   T   T   T
  0.3391374500000026  0.5008494200000015  0.5906020700000028   T   T   T
  0.5031603899999979  0.6653239299999996  0.2723504800000001   F   F   F
  0.3395616000000032  0.4982346000000035  0.4601235800000012   T   T   T
  0.5031603899999979  0.6653239299999996  0.3911325700000035   F   F   F
  0.3364937200000000  0.4986572700000025  0.3317415300000022   F   F   F
  0.5050246099999995  0.6637720399999978  0.5105303599999971   T   T   T
  0.3364937200000000  0.4986572700000025  0.2129594399999988   F   F   F
  0.5000149500000006  0.6670257299999989  0.6318690299999972   T   T   T
  0.3320087199999975  0.8361618100000001  0.5863813500000035   T   T   T
  0.5031603899999979  0.9986572700000025  0.2723504800000001   F   F   F
  0.3385523999999975  0.8297967600000007  0.4589109699999980   T   T   T
  0.5031603899999979  0.9986572700000025  0.3911325700000035   F   F   F
  0.3364937200000000  0.8319905999999975  0.3317415300000022   F   F   F
  0.5050217799999999  0.9966846900000021  0.5068739700000009   T   T   T
  0.3364937200000000  0.8319905999999975  0.2129594399999988   F   F   F
  0.5025639200000001  0.9985006799999994  0.6228340999999986   T   T   T
  0.6699710800000034  0.1646879299999995  0.5893094099999985   T   T   T
  0.8364937200000000  0.3319905999999975  0.2723504800000001   F   F   F
  0.6714034399999989  0.1633611500000001  0.4595539199999976   T   T   T
  0.8364937200000000  0.3319905999999975  0.3911325700000035   F   F   F
  0.6698270600000029  0.1653239299999996  0.3317415300000022   F   F   F
  0.8385093300000008  0.3297954299999972  0.5066460099999972   T   T   T
  0.6698270600000029  0.1653239299999996  0.2129594399999988   F   F   F
  0.8361848300000005  0.3316870600000001  0.6227057899999977   T   T   T
  0.6722191699999982  0.4962062600000010  0.5869262599999985   T   T   T
  0.8364937200000000  0.6653239299999996  0.2723504800000001   F   F   F
  0.6713243100000028  0.4975688800000029  0.4589070399999997   T   T   T
  0.8364937200000000  0.6653239299999996  0.3911325700000035   F   F   F
  0.6698270600000029  0.4986572700000025  0.3317415300000022   F   F   F
  0.8384904400000011  0.6637871599999983  0.5073748800000004   T   T   T
  0.6698270600000029  0.4986572700000025  0.2129594399999988   F   F   F
  0.8363226600000004  0.6638486000000015  0.6239079699999976   T   T   T
  0.6662318200000001  0.8293239300000010  0.5900870800000035   T   T   T
  0.8364937200000000  0.9986572700000025  0.2723504800000001   F   F   F
  0.6705960299999987  0.8288512199999971  0.4599952499999986   T   T   T
  0.8364937200000000  0.9986572700000025  0.3911325700000035   F   F   F
  0.6698270600000029  0.8319905999999975  0.3317415300000022   F   F   F
  0.8373160800000008  0.9961972799999970  0.5069238900000030   T   T   T
  0.6698270600000029  0.8319905999999975  0.2129594399999988   F   F   F
  0.8356088399999990  0.9977532600000032  0.6226542100000003   T   T   T
  0.1030858000000023  0.2642747900000018  0.5740626099999986   T   T   T
  0.2638603899999978  0.2379572700000026  0.2723504800000001   F   F   F
  0.0757937200000001  0.0926905999999974  0.2723504800000001   F   F   F
  0.2365390200000022  0.0657980200000026  0.5735176600000003   T   T   T
  0.1042924600000035  0.2656794700000020  0.4537753099999975   T   T   T
  0.2638603899999978  0.2379572700000026  0.3911325700000035   F   F   F
  0.0757937200000001  0.0926905999999974  0.3911325700000035   F   F   F
  0.2357735399999967  0.0645499600000008  0.4534961499999994   T   T   T
  0.0971937199999999  0.2593572700000024  0.3317415300000022   F   F   F
  0.2714460299999999  0.2306142500000021  0.5143965600000016   T   T   T
  0.0692756299999999  0.0989311000000015  0.5140597600000021   T   T   T
  0.2424603899999980  0.0712905999999975  0.3317415300000022   F   F   F
  0.0971937199999999  0.2593572700000024  0.2129594399999988   F   F   F
  0.2650387400000014  0.2357161500000018  0.6382197599999984   T   T   T
  0.0738131299999978  0.0943241100000023  0.6387988000000036   T   T   T
  0.2424603899999980  0.0712905999999975  0.2129594399999988   F   F   F
  0.1031144299999980  0.5975039699999982  0.5737477400000017   T   T   T
  0.2638603899999978  0.5712905999999975  0.2723504800000001   F   F   F
  0.0757937200000001  0.4260239299999995  0.2723504800000001   F   F   F
  0.2373718500000024  0.3987236899999971  0.5738978400000008   T   T   T
  0.1042329599999974  0.5986721299999971  0.4533936500000024   T   T   T
  0.2638603899999978  0.5712905999999975  0.3911325700000035   F   F   F
  0.0757937200000001  0.4260239299999995  0.3911325700000035   F   F   F
  0.2364672400000032  0.3979233900000025  0.4535896300000033   T   T   T
  0.0971937199999999  0.5926905999999974  0.3317415300000022   F   F   F
  0.2713871699999970  0.5641611300000022  0.5146265400000019   T   T   T
  0.0696665600000017  0.4323732900000010  0.5142783900000012   T   T   T
  0.2424603899999980  0.4046239299999996  0.3317415300000022   F   F   F
  0.0971937199999999  0.5926905999999974  0.2129594399999988   F   F   F
  0.2634703900000019  0.5699390999999991  0.6389153000000007   T   T   T
  0.0746903799999998  0.4262712900000025  0.6382629300000033   T   T   T
  0.2424603899999980  0.4046239299999996  0.2129594399999988   F   F   F
  0.1021693599999978  0.9314676099999986  0.5736196900000010   T   T   T
  0.2638603899999978  0.9046239299999996  0.2723504800000001   F   F   F
  0.0757937200000001  0.7593572700000024  0.2723504800000001   F   F   F
  0.2341465000000014  0.7328175199999976  0.5730047400000018   T   T   T
  0.1036442699999967  0.9325092799999979  0.4534426999999965   T   T   T
  0.2638603899999978  0.9046239299999996  0.3911325700000035   F   F   F
  0.0757937200000001  0.7593572700000024  0.3911325700000035   F   F   F
  0.2360007199999998  0.7309803400000021  0.4535431600000024   T   T   T
  0.0971937199999999  0.9260239299999995  0.3317415300000022   F   F   F
  0.2705611199999964  0.8976166100000000  0.5133893900000004   T   T   T
  0.0687580100000034  0.7652718699999994  0.5140178099999986   T   T   T
  0.2424603899999980  0.7379572700000026  0.3317415300000022   F   F   F
  0.0971937199999999  0.9260239299999995  0.2129594399999988   F   F   F
  0.2624647399999986  0.9056978699999974  0.6386168299999966   T   T   T
  0.0742394999999973  0.7602850399999994  0.6385546300000016   T   T   T
  0.2424603899999980  0.7379572700000026  0.2129594399999988   F   F   F
  0.4359207800000036  0.2639049499999970  0.5738130399999974   T   T   T
  0.5971937199999999  0.2379572700000026  0.2723504800000001   F   F   F
  0.4091270600000030  0.0926905999999974  0.2723504800000001   F   F   F
  0.5705387499999972  0.0653867099999985  0.5738818600000002   T   T   T
  0.4372141300000010  0.2656177000000000  0.4534061700000009   T   T   T
  0.5971937199999999  0.2379572700000026  0.3911325700000035   F   F   F
  0.4091270600000030  0.0926905999999974  0.3911325700000035   F   F   F
  0.5696940200000000  0.0640892699999966  0.4534101699999979   T   T   T
  0.4305270600000028  0.2593572700000024  0.3317415300000022   F   F   F
  0.6042759099999984  0.2299203500000004  0.5139608100000004   T   T   T
  0.4028854000000024  0.0993414799999996  0.5138885200000018   T   T   T
  0.5757937200000001  0.0712905999999975  0.3317415300000022   F   F   F
  0.4305270600000028  0.2593572700000024  0.2129594399999988   F   F   F
  0.5983035799999996  0.2352796099999992  0.6383131600000027   T   T   T
  0.4075191800000013  0.0939416900000012  0.6383335800000012   T   T   T
  0.5757937200000001  0.0712905999999975  0.2129594399999988   F   F   F
  0.4352826200000024  0.5971378400000020  0.5776240499999972   T   T   T
  0.5971937199999999  0.5712905999999975  0.2723504800000001   F   F   F
  0.4091270600000030  0.4260239299999995  0.2723504800000001   F   F   F
  0.5711286800000011  0.3954418300000029  0.5730392299999991   T   T   T
  0.4382679499999966  0.5995467600000026  0.4551400300000026   T   T   T
  0.5971937199999999  0.5712905999999975  0.3911325700000035   F   F   F
  0.4091270600000030  0.4260239299999995  0.3911325700000035   F   F   F
  0.5693500599999979  0.3976931300000004  0.4535358600000023   T   T   T
  0.4305270600000028  0.5926905999999974  0.3317415300000022   F   F   F
  0.6050675099999978  0.5632728599999979  0.5145607400000003   T   T   T
  0.4032552099999975  0.4324149799999972  0.5146029900000002   T   T   T
  0.5757937200000001  0.4046239299999996  0.3317415300000022   F   F   F
  0.4305270600000028  0.5926905999999974  0.2129594399999988   F   F   F
  0.6031457699999976  0.5653382799999989  0.6320379200000019   T   T   T
  0.4082685200000000  0.4249997399999970  0.6390399000000002   T   T   T
  0.5757937200000001  0.4046239299999996  0.2129594399999988   F   F   F
  0.4353288800000001  0.9339568600000021  0.5728860500000010   T   T   T
  0.5971937199999999  0.9046239299999996  0.2723504800000001   F   F   F
  0.4091270600000030  0.7593572700000024  0.2723504800000001   F   F   F
  0.5704499100000007  0.7325224300000031  0.5775811899999965   T   T   T
  0.4373842899999971  0.9323527299999981  0.4534946200000007   T   T   T
  0.5971937199999999  0.9046239299999996  0.3911325700000035   F   F   F
  0.4091270600000030  0.7593572700000024  0.3911325700000035   F   F   F
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  0.4305270600000028  0.9260239299999995  0.3317415300000022   F   F   F
  0.6040800600000011  0.8968804800000001  0.5145129499999967   T   T   T
  0.4022841999999969  0.7659716499999973  0.5139735200000004   T   T   T
  0.5757937200000001  0.7379572700000026  0.3317415300000022   F   F   F
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  0.5975388499999994  0.9048096499999971  0.6390871700000034   T   T   T
  0.4025245099999992  0.7654621499999976  0.6319710300000025   T   T   T
  0.5757937200000001  0.7379572700000026  0.2129594399999988   F   F   F
  0.7693693300000035  0.2640101000000001  0.5734782999999979   T   T   T
  0.9305270600000028  0.2379572700000026  0.2723504800000001   F   F   F
  0.7424603899999980  0.0926905999999974  0.2723504800000001   F   F   F
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  0.9305270600000028  0.2379572700000026  0.3911325700000035   F   F   F
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  0.7638603899999978  0.2593572700000024  0.3317415300000022   F   F   F
  0.9380142300000003  0.2302050699999967  0.5144966399999973   T   T   T
  0.7358003800000006  0.0987647999999979  0.5143501100000023   T   T   T
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  0.6953044999999989  0.5564588399999977  0.7972254299999975   T   T   T
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  0.7503306300000006  0.7155607600000025  0.7543222999999983   T   T   T
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