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
  0.9988309000000015  0.1620383500000031  0.5939887600000020   T   T   T
  0.1645333800000017  0.3293051400000024  0.2762017800000010   F   F   F
  0.9964904099999998  0.1639152500000023  0.4634388799999982   T   T   T
  0.1645333800000017  0.3293051400000024  0.3949838699999972   F   F   F
  0.9978667099999967  0.1626384699999974  0.3355928300000031   F   F   F
  0.1643930999999981  0.3309623000000030  0.5107293299999967   T   T   T
  0.9978667099999967  0.1626384699999974  0.2168107399999997   F   F   F
  0.1657135999999966  0.3300061699999972  0.6264599399999966   T   T   T
  0.9996589300000025  0.4936892799999981  0.5918678999999969   T   T   T
  0.1645333800000017  0.6626384699999974  0.2762017800000010   F   F   F
  0.9965533499999992  0.4975078599999989  0.4632394200000007   T   T   T
  0.1645333800000017  0.6626384699999974  0.3949838699999972   F   F   F
  0.9978667099999967  0.4959718100000003  0.3355928300000031   F   F   F
  0.1626005199999980  0.6641048199999986  0.5107362400000000   T   T   T
  0.9978667099999967  0.4959718100000003  0.2168107399999997   F   F   F
  0.1641682599999967  0.6626495499999976  0.6263859700000012   T   T   T
  0.9959055200000009  0.8280036600000003  0.5941832700000020   T   T   T
  0.1645333800000017  0.9959718100000003  0.2762017800000010   F   F   F
  0.9956981500000026  0.8305558899999994  0.4638689900000017   T   T   T
  0.1645333800000017  0.9959718100000003  0.3949838699999972   F   F   F
  0.9978667099999967  0.8293051400000024  0.3355928300000031   F   F   F
  0.1619483400000021  0.9977245199999984  0.5106593799999999   T   T   T
  0.9978667099999967  0.8293051400000024  0.2168107399999997   F   F   F
  0.1639692299999993  0.9950151800000029  0.6267353100000008   T   T   T
  0.3303073299999966  0.1623302400000028  0.5935829499999983   T   T   T
  0.4978667099999967  0.3293051400000024  0.2762017800000010   F   F   F
  0.3297700299999988  0.1640765300000027  0.4634290699999966   T   T   T
  0.4978667099999967  0.3293051400000024  0.3949838699999972   F   F   F
  0.3312000399999988  0.1626384699999974  0.3355928300000031   F   F   F
  0.4963802700000031  0.3309567499999986  0.5106890100000001   T   T   T
  0.3312000399999988  0.1626384699999974  0.2168107399999997   F   F   F
  0.4975709300000020  0.3287282699999992  0.6265644500000036   T   T   T
  0.3346815499999991  0.4994281099999967  0.5943201299999998   T   T   T
  0.4978667099999967  0.6626384699999974  0.2762017800000010   F   F   F
  0.3308022900000012  0.4986585899999980  0.4641127000000012   T   T   T
  0.4978667099999967  0.6626384699999974  0.3949838699999972   F   F   F
  0.3312000399999988  0.4959718100000003  0.3355928300000031   F   F   F
  0.4955465000000032  0.6633213100000006  0.5147042700000029   T   T   T
  0.3312000399999988  0.4959718100000003  0.2168107399999997   F   F   F
  0.5003815800000027  0.6641687500000018  0.6363623700000005   T   T   T
  0.3276479900000027  0.8319639600000031  0.5904435899999996   T   T   T
  0.4978667099999967  0.9959718100000003  0.2762017800000010   F   F   F
  0.3299280199999970  0.8302731400000027  0.4627769100000023   T   T   T
  0.4978667099999967  0.9959718100000003  0.3949838699999972   F   F   F
  0.3312000399999988  0.8293051400000024  0.3355928300000031   F   F   F
  0.4960890199999994  0.9975241300000022  0.5107226900000015   T   T   T
  0.3312000399999988  0.8293051400000024  0.2168107399999997   F   F   F
  0.4968513500000000  0.9962021500000020  0.6267077999999984   T   T   T
  0.6639294599999985  0.1623434400000008  0.5930953700000003   T   T   T
  0.8312000399999988  0.3293051400000024  0.2762017800000010   F   F   F
  0.6629713000000024  0.1637284800000032  0.4634256100000016   T   T   T
  0.8312000399999988  0.3293051400000024  0.3949838699999972   F   F   F
  0.6645333800000017  0.1626384699999974  0.3355928300000031   F   F   F
  0.8305236500000035  0.3296580100000028  0.5103719999999967   T   T   T
  0.6645333800000017  0.1626384699999974  0.2168107399999997   F   F   F
  0.8317761400000023  0.3276512400000016  0.6262657600000026   T   T   T
  0.6682051800000011  0.4919449599999979  0.5905318100000017   T   T   T
  0.8312000399999988  0.6626384699999974  0.2762017800000010   F   F   F
  0.6632536400000006  0.4984800900000010  0.4630204500000019   T   T   T
  0.8312000399999988  0.6626384699999974  0.3949838699999972   F   F   F
  0.6645333800000017  0.4959718100000003  0.3355928300000031   F   F   F
  0.8302785999999998  0.6648261300000016  0.5122088099999971   T   T   T
  0.6645333800000017  0.4959718100000003  0.2168107399999997   F   F   F
  0.8296178800000007  0.6595390499999993  0.6301343499999987   T   T   T
  0.6601523900000004  0.8293977599999991  0.5926875700000025   T   T   T
  0.8312000399999988  0.9959718100000003  0.2762017800000010   F   F   F
  0.6617351499999984  0.8287673199999972  0.4636513800000017   T   T   T
  0.8312000399999988  0.9959718100000003  0.3949838699999972   F   F   F
  0.6645333800000017  0.8293051400000024  0.3355928300000031   F   F   F
  0.8288055100000022  0.9965573400000025  0.5106347199999988   T   T   T
  0.6645333800000017  0.8293051400000024  0.2168107399999997   F   F   F
  0.8302941999999973  0.9961573100000010  0.6263203099999970   T   T   T
  0.0976609399999973  0.2620740999999995  0.5778524899999979   T   T   T
  0.2585667099999966  0.2352718100000004  0.2762017800000010   F   F   F
  0.0705000399999989  0.0900051400000024  0.2762017800000010   F   F   F
  0.2309094299999970  0.0629640300000034  0.5774943600000029   T   T   T
  0.0986128999999991  0.2634327700000014  0.4574930899999998   T   T   T
  0.2585667099999966  0.2352718100000004  0.3949838699999972   F   F   F
  0.0705000399999989  0.0900051400000024  0.3949838699999972   F   F   F
  0.2295753699999992  0.0625007399999973  0.4573458099999996   T   T   T
  0.0919000399999987  0.2566718100000003  0.3355928300000031   F   F   F
  0.2649578700000035  0.2288025800000000  0.5180684999999983   T   T   T
  0.0629810800000001  0.0973402999999990  0.5183712099999980   T   T   T
  0.2371667099999968  0.0686051400000025  0.3355928300000031   F   F   F
  0.0919000399999987  0.2566718100000003  0.2168107399999997   F   F   F
  0.2595140199999975  0.2333787199999975  0.6424297800000005   T   T   T
  0.0687691299999997  0.0913822400000015  0.6428709799999979   T   T   T
  0.2371667099999968  0.0686051400000025  0.2168107399999997   F   F   F
  0.0980761300000026  0.5949843100000010  0.5771500299999985   T   T   T
  0.2585667099999966  0.5686051400000025  0.2762017800000010   F   F   F
  0.0705000399999989  0.4233384699999974  0.2762017800000010   F   F   F
  0.2319392400000027  0.3968575600000008  0.5774968799999982   T   T   T
  0.0982301399999983  0.5965643099999980  0.4570744600000012   T   T   T
  0.2585667099999966  0.5686051400000025  0.3949838699999972   F   F   F
  0.0705000399999989  0.4233384699999974  0.3949838699999972   F   F   F
  0.2306086999999977  0.3958076199999994  0.4573571600000008   T   T   T
  0.0919000399999987  0.5900051400000024  0.3355928300000031   F   F   F
  0.2653368599999979  0.5628745799999990  0.5182704599999965   T   T   T
  0.0635040800000013  0.4304132199999984  0.5177899299999993   T   T   T
  0.2371667099999968  0.4019384699999975  0.3355928300000031   F   F   F
  0.0919000399999987  0.5900051400000024  0.2168107399999997   F   F   F
  0.2582109299999971  0.5683305800000014  0.6428566399999980   T   T   T
  0.0699167100000011  0.4233514299999968  0.6422417899999999   T   T   T
  0.2371667099999968  0.4019384699999975  0.2168107399999997   F   F   F
  0.0963169799999974  0.9284604699999974  0.5775716099999997   T   T   T
  0.2585667099999966  0.9019384699999975  0.2762017800000010   F   F   F
  0.0705000399999989  0.7566718100000003  0.2762017800000010   F   F   F
  0.2275268799999992  0.7309749300000021  0.5764571300000014   T   T   T
  0.0974627299999966  0.9304684199999969  0.4572761200000031   T   T   T
  0.2585667099999966  0.9019384699999975  0.3949838699999972   F   F   F
  0.0705000399999989  0.7566718100000003  0.3949838699999972   F   F   F
  0.2299249399999965  0.7289894099999970  0.4572452100000035   T   T   T
  0.0919000399999987  0.9233384699999974  0.3355928300000031   F   F   F
  0.2640399300000027  0.8959963399999964  0.5166561300000012   T   T   T
  0.0619917799999996  0.7631486300000034  0.5180166000000028   T   T   T
  0.2371667099999968  0.7352718100000004  0.3355928300000031   F   F   F
  0.0919000399999987  0.9233384699999974  0.2168107399999997   F   F   F
  0.2571904300000014  0.9026954099999998  0.6429304700000031   T   T   T
  0.0685986299999968  0.7575015700000023  0.6430219300000033   T   T   T
  0.2371667099999968  0.7352718100000004  0.2168107399999997   F   F   F
  0.4297143399999968  0.2616942900000012  0.5777518200000031   T   T   T
  0.5919000399999987  0.2352718100000004  0.2762017800000010   F   F   F
  0.4038333800000018  0.0900051400000024  0.2762017800000010   F   F   F
  0.5643012800000022  0.0636162799999980  0.5775186999999988   T   T   T
  0.4311953200000005  0.2634961199999992  0.4572169899999992   T   T   T
  0.5919000399999987  0.2352718100000004  0.3949838699999972   F   F   F
  0.4038333800000018  0.0900051400000024  0.3949838699999972   F   F   F
  0.5635794499999989  0.0620474999999985  0.4571782399999975   T   T   T
  0.4252333800000017  0.2566718100000003  0.3355928300000031   F   F   F
  0.5979628999999989  0.2282602699999998  0.5177356800000013   T   T   T
  0.3965110999999979  0.0974509899999987  0.5177172200000015   T   T   T
  0.5705000399999989  0.0686051400000025  0.3355928300000031   F   F   F
  0.4252333800000017  0.2566718100000003  0.2168107399999997   F   F   F
  0.5925511599999993  0.2330219199999988  0.6421634699999998   T   T   T
  0.4015286400000022  0.0919259400000030  0.6424468299999972   T   T   T
  0.5705000399999989  0.0686051400000025  0.2168107399999997   F   F   F
  0.4305077599999976  0.5952434900000014  0.5818523700000000   T   T   T
  0.5919000399999987  0.5686051400000025  0.2762017800000010   F   F   F
  0.4038333800000018  0.4233384699999974  0.2762017800000010   F   F   F
  0.5652856499999999  0.3927767599999967  0.5767201600000007   T   T   T
  0.4321037599999968  0.5974477899999968  0.4588255500000002   T   T   T
  0.5919000399999987  0.5686051400000025  0.3949838699999972   F   F   F
  0.4038333800000018  0.4233384699999974  0.3949838699999972   F   F   F
  0.5634656699999994  0.3956153000000029  0.4573337599999974   T   T   T
  0.4252333800000017  0.5900051400000024  0.3355928300000031   F   F   F
  0.5987623799999966  0.5614964099999966  0.5181353500000014   T   T   T
  0.3971211900000000  0.4309895299999980  0.5185520400000030   T   T   T
  0.5705000399999989  0.4019384699999975  0.3355928300000031   F   F   F
  0.4252333800000017  0.5900051400000024  0.2168107399999997   F   F   F
  0.5970343199999988  0.5610764400000008  0.6355472700000036   T   T   T
  0.4027860500000031  0.4231477000000012  0.6428279300000028   T   T   T
  0.5705000399999989  0.4019384699999975  0.2168107399999997   F   F   F
  0.4295041800000021  0.9314923299999975  0.5767879799999989   T   T   T
  0.5919000399999987  0.9019384699999975  0.2762017800000010   F   F   F
  0.4038333800000018  0.7566718100000003  0.2762017800000010   F   F   F
  0.5638692100000000  0.7308306700000031  0.5813084500000016   T   T   T
  0.4314358600000006  0.9302043200000014  0.4572421700000007   T   T   T
  0.5919000399999987  0.9019384699999975  0.3949838699999972   F   F   F
  0.4038333800000018  0.7566718100000003  0.3949838699999972   F   F   F
  0.5627099100000024  0.7280010500000031  0.4591328599999969   T   T   T
  0.4252333800000017  0.9233384699999974  0.3355928300000031   F   F   F
  0.5977119499999972  0.8954736600000004  0.5179156900000024   T   T   T
  0.3957529699999967  0.7639836900000034  0.5179558900000032   T   T   T
  0.5705000399999989  0.7352718100000004  0.3355928300000031   F   F   F
  0.4252333800000017  0.9233384699999974  0.2168107399999997   F   F   F
  0.5915164099999970  0.9040373200000005  0.6429880399999988   T   T   T
  0.3954841700000031  0.7602292099999985  0.6353017699999981   T   T   T
  0.5705000399999989  0.7352718100000004  0.2168107399999997   F   F   F
  0.7638312799999980  0.2611825299999992  0.5770798100000007   T   T   T
  0.9252333800000017  0.2352718100000004  0.2762017800000010   F   F   F
  0.7371667099999968  0.0900051400000024  0.2762017800000010   F   F   F
  0.8984991900000026  0.0633280899999988  0.5778552100000027   T   T   T
  0.7651345900000024  0.2629847600000019  0.4570424500000030   T   T   T
  0.9252333800000017  0.2352718100000004  0.3949838699999972   F   F   F
  0.7371667099999968  0.0900051400000024  0.3949838699999972   F   F   F
  0.8970909000000020  0.0619286800000012  0.4574484099999978   T   T   T
  0.7585667099999966  0.2566718100000003  0.3355928300000031   F   F   F
  0.9315998699999994  0.2286646399999981  0.5177095700000010   T   T   T
  0.7295940699999974  0.0971712500000024  0.5179702200000023   T   T   T
  0.9038333800000018  0.0686051400000025  0.3355928300000031   F   F   F
  0.7585667099999966  0.2566718100000003  0.2168107399999997   F   F   F
  0.9269867499999975  0.2328471800000003  0.6427493699999971   T   T   T
  0.7355863700000000  0.0917760999999970  0.6420909300000019   T   T   T
  0.9038333800000018  0.0686051400000025  0.2168107399999997   F   F   F
  0.7664580300000026  0.5939486999999986  0.5783086799999992   T   T   T
  0.9252333800000017  0.5686051400000025  0.2762017800000010   F   F   F
  0.7371667099999968  0.4233384699999974  0.2762017800000010   F   F   F
  0.8986862300000027  0.3947819500000023  0.5769033899999982   T   T   T
  0.7653272399999977  0.5974890299999984  0.4581618300000017   T   T   T
  0.9252333800000017  0.5686051400000025  0.3949838699999972   F   F   F
  0.7371667099999968  0.4233384699999974  0.3949838699999972   F   F   F
  0.8972611900000018  0.3952032299999999  0.4571464599999970   T   T   T
  0.7585667099999966  0.5900051400000024  0.3355928300000031   F   F   F
  0.9321885600000002  0.5621023799999989  0.5177165200000005   T   T   T
  0.7304270200000005  0.4297090600000004  0.5169609399999970   T   T   T
  0.9038333800000018  0.4019384699999975  0.3355928300000031   F   F   F
  0.7585667099999966  0.5900051400000024  0.2168107399999997   F   F   F
  0.9298025000000010  0.5649707199999980  0.6395818800000015   T   T   T
  0.7386480600000027  0.4207060399999989  0.6429017800000025   T   T   T
  0.9038333800000018  0.4019384699999975  0.2168107399999997   F   F   F
  0.7632818700000001  0.9308601500000009  0.5770460600000007   T   T   T
  0.9252333800000017  0.9019384699999975  0.2762017800000010   F   F   F
  0.7371667099999968  0.7566718100000003  0.2762017800000010   F   F   F
  0.8982703200000017  0.7295538899999983  0.5803066200000018   T   T   T
  0.7645648299999976  0.9299112400000027  0.4573025600000022   T   T   T
  0.9252333800000017  0.9019384699999975  0.3949838699999972   F   F   F
  0.7371667099999968  0.7566718100000003  0.3949838699999972   F   F   F
  0.8966221299999972  0.7289334000000025  0.4577510499999988   T   T   T
  0.7585667099999966  0.9233384699999974  0.3355928300000031   F   F   F
  0.9308402599999965  0.8949500000000015  0.5184620799999990   T   T   T
  0.7296651699999970  0.7636352600000009  0.5183456800000030   T   T   T
  0.9038333800000018  0.7352718100000004  0.3355928300000031   F   F   F
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  0.9254987999999997  0.9012086199999985  0.6429677499999968   T   T   T
  0.7350927999999968  0.7614363100000006  0.6389548599999983   T   T   T
  0.9038333800000018  0.7352718100000004  0.2168107399999997   F   F   F
  0.5107994000000033  0.6756359199999977  0.7102522899999997   T   T   T
  0.4625272899999970  0.6998211699999999  0.7774609000000012   T   T   T
  0.7837421600000027  0.6519176999999985  0.7308807000000002   T   T   T
  0.3569924299999983  0.6182703699999976  0.7848481400000011   T   T   T
  0.5452693299999964  0.6767176199999980  0.8343383599999967   T   T   T
  0.4260292100000029  0.8295607599999997  0.7758900500000010   T   T   T
  0.8461712900000009  0.7253220099999993  0.7523593700000006   T   T   T
  0.7939879999999988  0.5573523999999992  0.7547720399999989   T   T   T
  0.3114221000000015  0.6228158400000012  0.7494227899999970   T   T   T
  0.3785797999999971  0.5424781800000034  0.7896479899999989   T   T   T
  0.3142338600000016  0.6374897500000003  0.8197231500000015   T   T   T
  0.5700938399999984  0.6017919599999999  0.8344758599999977   T   T   T
  0.6073062199999981  0.7248527899999999  0.8323759100000032   T   T   T
  0.5097004400000031  0.6887116999999989  0.8723429899999999   T   T   T
  0.3895587700000007  0.8483018299999969  0.8122745699999996   T   T   T
  0.4873746999999966  0.8769705200000004  0.7715933599999971   T   T   T
  0.3787935800000000  0.8442829700000019  0.7426227899999986   T   T   T
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