Triclinic periodic calculation 64 atoms 0.0 10.7422053 xlo xhi 0.0 10.7422053 ylo yhi 0.0 10.7422053 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 1.05372412522 2.2264813 1.9227813 2 1 3.23281033513 2.6862843 1.1071213 3 1 3.81671587569 0.7745107 2.4256333 4 1 0.734769473901 4.4957563 1.9475963 5 1 3.12554810577 4.7334603 2.3816703 6 1 2.0284566679 1.4833073 3.8975983 7 1 -0.0865568303421 4.7415053 4.1574643 8 1 1.60928019318 3.4355833 5.1454103 9 1 4.6703099286 2.9879433 3.0060483 10 1 0.582603849672 2.4059043 7.0247523 11 1 2.56053550785 1.1057293 7.0874503 12 1 3.77507114565 4.0717053 5.8733103 13 1 1.51080084521 1.7573543 9.1380583 14 1 3.85303717643 1.4312863 8.9972583 15 1 5.52386386929 3.1316723 8.8389253 16 1 2.85727812004 4.8740013 7.9184393 17 1 1.75245899921 8.1189083 1.1975373 18 1 4.75846255595 5.4657873 0.7366181 19 1 2.36728252524 10.3167353 0.7856697 20 1 0.821290077238 6.8916003 3.9888533 21 1 2.9323264837 7.0885353 2.9136033 22 1 0.326894557551 10.6755153 4.0477333 23 1 3.94686769494 8.3180393 4.7484843 24 1 5.28233836588 10.0978953 3.7330923 25 1 3.23764272862 6.3442543 6.0036673 26 1 2.18047525078 9.5481763 7.5775553 27 1 1.89119185069 9.3468443 5.2433833 28 1 5.20878628415 8.7048313 6.7802003 29 1 1.87031715426 7.1097963 7.8066623 30 1 4.80115497033 5.3730333 9.1137043 31 1 0.255242386438 7.8545743 9.4339053 32 1 0.911419377276 10.2051953 9.5789993 33 1 3.89157658572 8.1429003 8.6228693 34 1 4.13140736875 10.0620753 10.0277253 35 1 9.65807513 1.3119013 2.5023123 36 1 6.21760292378 3.7546993 1.4564413 37 1 7.8324274587 5.2045773 2.3898813 38 1 9.4379476299 4.5186713 0.747456 39 1 7.27154260442 0.486256 4.4426823 40 1 8.86148241229 2.1730273 4.6140153 41 1 5.40602563012 0.9555283 5.7017513 42 1 10.0421794765 0.6853822 6.0054363 43 1 5.88932089602 3.1276623 6.5125373 44 1 7.90157019788 4.1053803 5.6594213 45 1 9.86112556849 5.1914453 6.4533163 46 1 6.23391892928 -0.1908826 10.9234753 47 1 6.78132631775 2.1166783 10.6018953 48 1 9.09369757689 2.1607863 10.9959653 49 1 9.3853276342 -0.09771388 10.2733353 50 1 6.48479483084 6.9266983 1.4624533 51 1 9.55115850144 6.8263493 0.2440798 52 1 6.80034962827 9.2266163 2.0267743 53 1 10.3712140353 7.8993393 2.1851513 54 1 9.08009412033 9.8511283 1.7171663 55 1 8.07957086115 7.8322203 4.7910563 56 1 6.77623792295 5.7799933 4.4645673 57 1 6.75309396417 6.9512363 6.5378733 58 1 8.34433202708 6.2029353 8.0777583 59 1 10.1519566936 7.4188033 5.7923703 60 1 6.39364689401 10.5716853 7.5333503 61 1 8.16853502764 9.8623723 6.1602463 62 1 9.29988029195 8.3938723 7.8288323 63 1 7.41174997298 7.1388073 10.0633853 64 1 7.5846182882 9.4067103 9.3043643 Masses 1 28.0855