Triclinic periodic calculation

64 atoms
0.0 10.7458163 xlo xhi
0.0 10.7458163 ylo yhi
0.0 10.7458163 zlo zhi
0.0 0.0 0.0 xy xz yz
1 atom types
 
Atoms
 
1 1 3.63039228442 2.6485433 2.3817393
2 1 4.6984514364 2.0602883 0.3632915
3 1 0.10428263252 3.7024723 0.6365344
4 1 2.26497214104 4.3373503 1.3896073
5 1 0.432178958826 0.3467347 4.1902713
6 1 2.34943552441 0.7078505 2.8475953
7 1 1.944810064 3.0032843 5.1249333
8 1 0.14166964785 3.8126313 3.8562603
9 1 3.53047778706 4.3272873 3.9955753
10 1 5.29282818944 3.4576103 5.2011923
11 1 1.44399030003 0.9382018 6.2299933
12 1 4.85691426034 0.9936423 7.8140553
13 1 3.61345836968 0.0430865 6.0798273
14 1 1.72064122524 4.6080453 6.8217153
15 1 5.18750024508 5.2008393 6.7618483
16 1 0.93629837169 0.9676873 8.6200563
17 1 2.74943117208 0.9728223 10.2159763
18 1 5.36765395045 3.7555163 9.5952353
19 1 3.52768751484 4.5544333 8.3320783
20 1 2.11157193762 7.8703653 2.0705083
21 1 3.39853456462 6.3443863 0.7409701
22 1 2.01642854522 10.0669763 1.0022873
23 1 1.03691108303 5.7863633 2.8237423
24 1 0.594501663127 8.8077483 3.7058963
25 1 4.21693933299 10.4111663 3.8279043
26 1 3.92115738063 8.0974743 3.6241043
27 1 1.99897368219 6.9541823 6.8661303
28 1 0.053999851252 7.5134603 5.6338943
29 1 5.15988426156 7.2518153 5.4747793
30 1 3.73582100213 8.5520623 6.7599573
31 1 0.540970309666 7.0176613 8.8030513
32 1 2.89973847863 6.6789703 9.1741923
33 1 4.89646859585 7.9527013 8.7021203
34 1 4.30583526728 10.1130463 9.4775833
35 1 7.84168312081 2.6966873 2.2543023
36 1 6.02886849515 0.104893 0.2117531
37 1 10.1285674978 2.3011743 2.3009653
38 1 8.06649486748 5.1844903 1.9420573
39 1 7.73801655118 1.0806073 4.0161663
40 1 7.15007526626 4.2086723 3.9459893
41 1 9.01920711191 3.8868193 5.2787383
42 1 6.44695815021 1.5118583 6.0015583
43 1 8.38036936764 2.4231813 7.0134143
44 1 7.06999671548 4.2413483 7.9547283
45 1 10.4469038569 5.0246153 7.8960023
46 1 7.89557313072 0.439383 9.4721403
47 1 8.3656336121 2.7359463 9.3626413
48 1 10.6689504885 3.0376633 9.1451423
49 1 5.90675851139 8.0968363 2.4096163
50 1 6.3948298781 5.3712863 0.2308239
51 1 5.40521207524 7.4696243 0.2258559
52 1 10.1873685741 5.8828213 1.1240493
53 1 6.33062838843 10.4216663 2.6369273
54 1 9.57082621715 8.5180253 2.1835613
55 1 10.4445247054 10.4368063 1.0591543
56 1 7.88842304849 7.2200513 3.2928043
57 1 8.24755090231 9.4892653 4.0459903
58 1 8.13043379956 7.5664853 7.6916833
59 1 9.10033604674 6.0173143 6.2341493
60 1 6.96691004229 8.6919243 5.9605783
61 1 6.78446260319 10.4535363 7.5206113
62 1 10.1776499462 8.7066633 7.5881043
63 1 7.98100523705 5.9216803 9.3765653
64 1 10.0615685932 10.1980863 9.4795363
 
Masses
 
1 28.0855