Triclinic periodic calculation 64 atoms 0.0 10.5856 xlo xhi 0.0 9.06493 ylo yhi 0.0 10.3176 zlo zhi -5.4462 -0.279622 0.188792 xy xz yz 1 atom types Atoms 1 1 -0.0680542 0.163652 0.255954 2 1 0.09998239999999999 0.04762519999999999 2.7269299999999994 3 1 -0.118852 0.128026 4.88578 4 1 -0.18182299999999998 0.24354099999999998 7.8418399999999995 5 1 -1.38184 2.2289699999999995 -0.108646 6 1 -1.3011699999999997 2.3941399999999997 2.29388 7 1 -1.7062 2.39552 4.81294 8 1 -1.6101900000000002 2.5876299999999994 7.79003 9 1 -2.70858 4.54239 -0.151845 10 1 -2.6988399999999997 4.686249999999999 2.76596 11 1 -2.8654800000000007 4.773950000000001 4.97841 12 1 -2.99159 4.663699999999999 7.94938 13 1 -4.1901 6.67321 -0.399259 14 1 -4.08937 6.83628 2.3230099999999996 15 1 -4.1903 6.939809999999999 5.230219999999999 16 1 -4.25869 7.021669999999999 7.61028 17 1 2.6494600000000004 0.10067199999999998 0.08999869999999999 18 1 2.34792 -0.0568394 2.5029899999999996 19 1 2.1637600000000003 0.25261 4.928349999999999 20 1 2.2989900000000003 0.174675 7.951019999999999 21 1 1.2243499999999998 2.5221799999999996 -0.10638399999999999 22 1 0.9572999999999998 2.48507 2.89269 23 1 1.1985900000000005 2.5471 5.01782 24 1 1.1026500000000001 2.5116399999999994 7.821019999999999 25 1 0.26580899999999896 4.850780000000001 0.00877376 26 1 -0.20871100000000045 4.43865 2.53497 27 1 0.17628399999999983 4.84074 4.949909999999999 28 1 -0.2539200000000005 4.747439999999999 7.76477 29 1 -1.655630000000001 6.92317 0.0957015 30 1 -1.45747 6.84972 2.45262 31 1 -1.6899300000000004 7.063589999999999 5.383029999999999 32 1 -1.5997799999999995 7.006959999999999 7.18415 33 1 5.06785 0.0923991 0.17885499999999996 34 1 4.8986 0.11393999999999999 2.76417 35 1 5.44756 0.15434700000000004 5.52516 36 1 4.8121100000000006 0.30740699999999993 7.61283 37 1 4.09234 2.5139399999999994 -0.028098699999999997 38 1 3.66159 2.50997 2.49044 39 1 3.7568 2.3513799999999994 5.32247 40 1 3.5248500000000007 2.8470300000000006 7.8516 41 1 2.4174099999999994 4.60396 0.21312099999999998 42 1 2.2335700000000007 4.703509999999999 2.98342 43 1 2.6843499999999993 4.58157 5.09325 44 1 2.3693799999999996 4.84011 7.83278 45 1 1.2319699999999991 6.857739999999999 -0.3549729999999999 46 1 1.0351399999999997 6.9932799999999995 2.29884 47 1 1.1220999999999994 7.019449999999999 5.15496 48 1 1.0445699999999998 7.05661 7.659479999999999 49 1 8.03473 0.24606299999999995 0.42580799999999996 50 1 7.839729999999999 0.15583599999999997 2.64412 51 1 7.948240000000001 -0.029104600000000005 5.419579999999999 52 1 7.7948699999999995 0.3277939999999999 8.00636 53 1 6.543259999999999 2.36157 0.443569 54 1 6.580009999999999 2.4064700000000006 2.97967 55 1 6.74105 2.3255099999999995 5.057869999999999 56 1 6.356240000000001 2.36779 8.10593 57 1 5.584469999999999 4.85785 0.33131599999999994 58 1 5.18105 4.711189999999999 2.6683099999999995 59 1 5.11347 4.91069 5.65221 60 1 5.26259 5.22511 8.02551 61 1 3.8432499999999985 6.8985 0.29026899999999994 62 1 3.8973 7.0182199999999995 2.77996 63 1 3.8532399999999996 7.1029 5.034519999999999 64 1 3.690949999999999 7.15117 7.82626 Masses 1 28.0855