Triclinic periodic calculation 64 atoms 0.0 10.6701701 xlo xhi 0.0 10.6701701 ylo yhi 0.0 10.6701701 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 1.5592951 1.9794121 2.2696171 2 1 4.7868561 2.2212181 0.01705 3 1 0.1437485 3.4407191 1.1797641 4 1 5.3925311 3.8378731 1.6815471 5 1 2.2998621 1.9395301 5.3241941 6 1 0.732897 0.3566806 4.7274141 7 1 3.7197951 3.1867261 3.9899811 8 1 4.2013841 0.1586136 7.4664321 9 1 2.9084461 2.0645931 7.5867061 10 1 0.6038844 3.5337741 5.5353541 11 1 4.8702701 3.2787761 7.3412221 12 1 3.8538651 4.6818861 5.7708931 13 1 2.6460151 1.6115221 9.8921041 14 1 2.0877551 3.9072891 10.3712801 15 1 4.3947391 4.2249951 9.4168251 16 1 0.8560414 7.2886481 2.2050211 17 1 2.3117611 5.7574271 1.1775341 18 1 4.5943371 6.0917371 1.3322041 19 1 2.0619201 10.4149201 1.7177691 20 1 4.5687061 7.4338291 3.2620921 21 1 2.4502981 8.6087631 3.2225631 22 1 4.8159631 10.7601101 3.2415071 23 1 4.3761031 9.7722751 5.4178001 24 1 0.7410177 7.1236831 5.4994591 25 1 2.3232711 6.0661001 6.9438151 26 1 1.9766151 9.1822371 5.5415021 27 1 2.5505321 9.2943721 7.9840941 28 1 1.9249821 7.0248011 9.9254501 29 1 0.9806991 5.2597391 8.7116671 30 1 4.0200641 7.4664971 7.8649491 31 1 5.2317821 7.2608791 9.9773801 32 1 3.0065501 9.9652601 10.2609701 33 1 6.0954661 0.4184692 1.2389151 34 1 9.8470151 1.5180311 2.2011311 35 1 7.5221141 3.6788041 0.6291427 36 1 5.6199621 1.9093231 4.4538971 37 1 9.6933551 1.7619481 5.4575951 38 1 7.7867751 5.1230431 5.2396631 39 1 8.6468401 3.1102601 3.8033081 40 1 10.5189101 4.4127781 3.3683691 41 1 6.6717541 1.9193681 6.5848851 42 1 8.1455591 3.2721591 7.7920431 43 1 10.3564401 2.5753501 7.5693381 44 1 6.4255111 0.2784291 8.3886791 45 1 7.7754071 1.8896471 9.6269621 46 1 9.6213571 0.6473222 8.7374831 47 1 7.6349061 7.0054151 1.6158971 48 1 7.8568421 9.3634861 1.4108211 49 1 10.7662301 8.1559701 0.1797261 50 1 10.7064301 10.4591601 0.6209655 51 1 5.5690371 5.9814211 4.8795761 52 1 9.5052611 6.5425181 3.0084401 53 1 6.1593151 8.9873381 4.0532111 54 1 9.7341381 9.8536241 2.6557041 55 1 5.7349191 7.9339821 6.2109331 56 1 7.5031051 5.5021871 7.5420981 57 1 8.9833401 7.2244821 5.2039371 58 1 8.3490471 9.8787611 7.3967521 59 1 10.0527201 8.2112591 7.1365131 60 1 6.5796961 5.2517281 9.7027281 61 1 9.4849571 6.3649191 8.5139271 62 1 8.4927911 7.9724951 10.1767901 63 1 8.7911961 5.6284261 10.7231901 64 1 5.3296281 9.6713601 10.2021401 Masses 1 28.0855