3996 lines
353 KiB
Plaintext
3996 lines
353 KiB
Plaintext
LAMMPS data file from restart file: timestep = 300053, procs = 1
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1982 atoms
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5 atom types
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-1.9379999999999999e+01 1.9379999999999999e+01 xlo xhi
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-1.9379999999999999e+01 1.9379999999999999e+01 ylo yhi
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-2.1879999999999999e+01 2.3940000000000001e+01 zlo zhi
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Masses
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1 63.55
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2 63.55
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3 39.948
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4 39.948
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5 39.948
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Pair Coeffs
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1 0.724279 2.59815
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2 0.724279 2.59815
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3 0.0103249 3.405
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4 0.0103249 3.405
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5 0.0103249 3.405
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Atoms
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2 0 2 0.0000000000000000e+00 -1.9379999999999999e+01 -1.7340000000000000e+01 -2.0860000000000003e+01 0 0 0
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3 0 2 0.0000000000000000e+00 -1.3260000000000002e+01 -1.9379999999999999e+01 -2.0860000000000003e+01 0 0 0
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4 0 2 0.0000000000000000e+00 -1.5300000000000001e+01 -1.7340000000000000e+01 -2.0860000000000003e+01 0 0 0
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20 0 2 0.0000000000000000e+00 -1.7340000000000000e+01 -1.5300000000000001e+01 -2.0860000000000003e+01 0 0 0
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21 0 2 0.0000000000000000e+00 -1.9379999999999999e+01 -1.3260000000000002e+01 -2.0860000000000003e+01 0 0 0
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22 0 2 0.0000000000000000e+00 -1.3260000000000002e+01 -1.5300000000000001e+01 -2.0860000000000003e+01 0 0 0
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1859 -1.9519532018065862e+00 2.0214566757871042e+00 3.0237885632088535e+00
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1914 -1.4808395112055479e+00 4.4996004484635970e+00 2.2621743417492493e+00
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1960 -5.0214940483987558e-01 -1.4474981172730921e+00 -3.1053483218662494e+00
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1931 -3.3707177922620755e+00 3.5202615927436243e-01 1.4357601647443961e+00
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1973 5.2224229084225655e+00 -2.5862298164934022e-01 -1.5767423845717918e-01
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1839 -4.2323774706203956e+00 -5.2568406074031868e+00 -3.5659587432472661e-01
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1932 -4.8984851755060150e+00 -2.4642706614426038e+00 3.0569806074468828e+00
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1865 -1.9281976430978038e+00 3.1483127124054517e+00 -3.7559567514030410e+00
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1980 3.8795170995428094e+00 -1.0532426521413067e+00 -3.8583502616400045e+00
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1921 2.7101886324726410e+00 1.6021306183374411e+00 4.0211703527667577e+00
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1946 -4.0506214249352874e+00 -2.8245327195875563e+00 3.0285005538264448e-01
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1952 -1.1931073540876937e+00 3.4625579598758927e-01 -6.0939427838045834e-01
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1836 -3.5752776474740515e+00 -9.7275688662520454e-01 -1.4530222797755650e+00
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1886 3.0828014236464324e-01 -5.5974498044080634e-01 -4.0791045785873035e+00
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1896 6.6566634980573247e-02 -3.0402932449687614e-02 3.3665103163049057e+00
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1945 -2.2093455758704512e+00 -1.0717017622762584e+00 1.6027218458941765e+00
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1944 -4.2465761739883527e+00 -2.0470232052151216e+00 3.7566287034812422e+00
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1900 -2.9184757048434986e+00 6.8354853049556996e-01 1.5164072237353048e+00
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1902 2.9211648364482956e+00 -3.6082375358273668e+00 9.7263550322218301e-03
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1841 4.8483025022777859e-01 1.3593003165875090e+00 -3.5321799269462413e+00
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1833 -8.7057876763246722e-01 1.2798892846421281e+00 -6.3043594494677369e-01
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1887 -2.2497695630949144e+00 -7.6156485786004058e-01 3.4348482448159245e+00
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1919 1.9525771789982458e+00 1.0751586239334605e+00 3.3551568133573468e+00
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1912 -1.1287657042676147e+00 -2.0348011028630681e+00 -7.2736903006738380e+00
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1957 -1.1458495501796162e+00 2.6413832506681385e+00 1.7765575372749427e+00
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1907 2.6532816248664464e+00 1.6753274428231010e-01 2.3441660670239730e+00
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1938 6.5864337900470915e-01 2.4341935524321898e+00 2.4560833057391016e+00
|
|
1981 3.2366498571774103e+00 7.5435390419069870e-01 3.3100091022736655e+00
|
|
1924 -3.9853438975952020e+00 -2.3305531571106668e+00 -1.2867930565265753e-01
|
|
1962 -2.3396814693282750e-01 -2.2041976540542785e+00 -2.0777817208567773e-01
|
|
1897 -4.4362698570755754e-01 5.5504675762173439e-01 -6.3245671824499272e-01
|
|
1966 -3.5834763547308492e+00 8.8924390344024773e-01 2.7374232947321664e+00
|
|
1873 1.5522706845332903e+00 7.3824615674886657e-02 7.7783989553666304e+00
|
|
1920 -9.5598996804324476e-01 -6.2811782069141231e-01 3.9069034966839595e+00
|
|
1942 3.7011354756255725e+00 -2.0501541732577291e+00 3.2824447098683298e+00
|
|
1913 3.3827316984641514e-01 -2.4733912565857707e+00 3.9035083120561991e+00
|
|
1939 -3.8560624179354336e-01 -4.0327631334427165e+00 7.9181779328389865e-02
|
|
1890 -1.8007964095965481e-01 4.3061089912327510e+00 -2.0137387251405486e-02
|
|
1881 4.0486016099113549e+00 4.9190322094806262e+00 2.0478924656616260e-01
|
|
1830 2.6321157218590909e+00 1.8328087585014241e+00 -1.2285346715583827e+00
|
|
1895 3.3507344169155178e+00 8.3549058732200435e-02 1.5809328047180307e-01
|
|
1982 6.9646918729648255e-01 3.0014280306277912e+00 1.2509347500640415e+00
|
|
1908 1.6105460028599694e+00 -2.2675978633932949e+00 -7.6121176380743938e-01
|
|
1891 8.9944268235659353e-01 3.4630210020448948e-01 4.2277708974857688e+00
|
|
1832 7.2898829608234916e-01 3.0165823901476094e+00 -9.4374236100686781e-01
|
|
1949 -6.9722553420070543e-01 8.9629376646955883e-01 3.8683381071778755e-01
|
|
1905 2.0388017195853403e-01 1.2975706611288473e+00 6.6272891538037149e-01
|
|
1899 1.1945269565460519e+00 3.5401959969975327e+00 1.6164986769611454e+00
|
|
1978 -6.0182406392867982e+00 -1.4725362542999580e+00 2.7351180945402254e+00
|
|
1951 2.4870171697937313e+00 4.8692856117172018e-01 1.1077413355482131e-01
|
|
1840 9.0358724339088314e-02 1.5882022383705148e+00 -3.5902659196042124e+00
|
|
1884 -2.0189752765626023e+00 8.8650225190121265e-02 3.3054489699892651e+00
|
|
1965 -5.1178668704510724e+00 -4.4106728568639104e+00 -9.5479539766357369e-01
|
|
1948 -9.8874836826545298e-01 2.6963385782700855e+00 -4.0574421257076693e-01
|
|
1971 -2.7435659716863375e-01 -1.5518408653493760e+00 -3.9936905221068619e-01
|
|
1910 2.2380257177161567e+00 -8.8549674034202719e-01 -2.0529311403120531e+00
|
|
1917 -2.9530741752131808e+00 1.5596792764961971e+00 1.7809101994899161e+00
|
|
1882 -4.2966029815396887e+00 -1.4506790358005679e+00 5.0787740245330648e-01
|
|
1929 1.0586243508418229e+00 -4.1080064826092144e+00 -6.3437250562223282e+00
|
|
1894 3.6779633844214268e+00 -7.6797235189611612e-01 1.2032580337072944e-01
|
|
1892 6.1409444592477698e+00 1.5916615675893186e+00 -1.4710877950995001e+00
|
|
1861 -1.7360575687588442e-01 4.9691730012571816e-01 -5.0322573315637760e+00
|
|
1864 -1.9280966240029549e+00 3.5443117532123058e+00 3.5946938220264744e+00
|
|
1955 -1.3965574272713073e+00 1.7305805695153202e+00 1.1206094881129056e+00
|
|
1903 1.1067167097461275e+00 4.0121519486670412e+00 3.1417735401266538e+00
|
|
1862 -2.5439231134866086e-01 7.9576360291376413e-01 -6.4197626121093343e-01
|
|
1915 -1.6053479621850846e+00 6.9776271583329330e-01 4.7178032670269801e+00
|
|
1935 2.5734931502993770e+00 2.3007480075410239e-01 4.5894154624266488e+00
|
|
1872 1.0043715056246931e+00 -3.6217110842038807e+00 6.1109207630882043e+00
|
|
1922 -4.6969897887024281e-01 -2.6095808279182126e-01 3.6763086041725077e+00
|
|
1876 7.4712580352315616e-01 3.2993945382515930e+00 4.7784173768584715e-01
|
|
1850 7.6188842082236496e-01 2.1245218719719691e-01 7.3992024657326660e-01
|
|
1916 8.5255440859815923e-01 4.5171049591896262e-01 -4.9490605974096075e-01
|
|
1889 1.0689322672867827e+00 -1.3412347954400587e+00 9.1027222570311972e-01
|
|
1970 5.2577821399633451e-01 -3.8826370751442574e+00 5.2898278345031775e+00
|
|
1883 1.7928087869912466e+00 4.1062742329183954e-01 -3.0481271216461749e+00
|
|
1909 1.0121359502809091e+00 -2.2276214369933198e+00 8.6204827207281209e-01
|
|
1846 -3.4071202618386214e+00 3.6480375944236938e+00 1.3899381529371919e+00
|
|
1959 -4.5936007426309849e-01 -2.9829230309925170e+00 -1.0961799497580720e+00
|
|
1918 1.5882990952615952e+00 -5.4146627333421824e+00 2.4664746447418176e-01
|
|
1941 2.5034321008783373e+00 -5.2267415393485328e-01 -2.3169450608444015e+00
|
|
1930 -1.2188043794679237e+00 -1.9988724075595703e+00 9.7835608919884687e-01
|
|
1975 -2.8685813890595027e+00 1.7401181016301075e+00 1.0756653331657691e+00
|
|
1933 -4.8359892017973816e-01 -2.7736122327227908e+00 2.4745794919776172e+00
|
|
1968 -2.0551808027551535e+00 -1.2829019376558122e+00 3.8898465325058562e+00
|
|
1940 -1.3045935959773933e-01 -2.1356954776571073e+00 4.4429856090651336e+00
|
|
1943 2.2423734821957280e+00 -2.8875848831899571e+00 5.4298646816600182e-01
|
|
1874 9.3335352690550035e+00 -1.7155828454505386e+00 -3.2126647777518609e+00
|
|
1969 1.7982826202443478e-01 5.0236411536614378e+00 -1.2902302822228255e+00
|
|
1860 1.8744712890107564e+00 1.3865460333854045e+00 -2.1963866718016387e+00
|
|
1880 1.7340920861153715e+00 4.2851740886495893e-01 7.5198252066270044e-01
|
|
1885 2.8293713391994171e+00 -5.3186839612267156e-01 2.4327827634856600e+00
|
|
1871 9.6269314776039705e-01 -3.1416383537132440e+00 -3.7192594510376686e-01
|
|
1950 -5.0782168585702001e+00 -2.2487474691550471e+00 4.4140334042476486e+00
|
|
1875 -3.8766423753274752e+00 1.3945095026916101e+00 -4.3499114911452335e+00
|
|
1866 2.0621515681816298e-02 -1.2894498752667798e+00 -2.5309083872146552e-02
|
|
1844 -1.1883946153620530e+00 -4.1085935416122592e-02 2.9057079727520905e+00
|
|
1870 2.6634320913729166e+00 -1.6669548009061230e+00 -4.1334026366916303e+00
|
|
1974 -5.2575123559398182e-02 1.8782789839709653e+00 -1.1485321736604714e+00
|
|
1904 -3.3981769128722075e+00 -2.2797379084516081e+00 -7.9892732910923958e-01
|
|
1979 -5.3498161400835520e-01 1.9947207911954188e+00 7.0874244797132135e-01
|
|
1967 -2.2665099382707861e+00 2.8631318491870426e+00 1.3388854177606789e-02
|
|
1937 -2.4560377800946602e+00 4.2743828172291121e-01 1.4685181183122988e+00
|
|
1976 -3.9221896956552094e-01 -1.5788920620938067e+00 8.6936657570818965e-01
|
|
1898 3.8365367871990665e+00 3.7795104145065511e-01 -5.9901385718960276e-01
|
|
1947 1.1421922828072634e-01 -8.6512395471892967e-01 -8.9628913158107382e-01
|
|
1857 5.5648393231392590e-01 2.1785177488138556e+00 5.6406198048315148e-01
|
|
1926 -1.7114467546957322e+00 2.6061812461766860e+00 -9.3416318146392829e-01
|
|
1953 -4.4400215654244999e+00 9.9038913226985181e-01 -1.6503574019771257e+00
|
|
1888 -3.9205341080245719e+00 1.6710714361732586e+00 -2.0275795124357878e+00
|
|
1954 7.0401238287186496e-01 -1.0085659445980510e+00 2.6542633591176079e+00
|
|
1911 -3.4125073332714351e+00 2.7724339434602627e+00 -1.1301892645628815e+00
|
|
1977 2.9284180799712298e+00 3.1588703124800865e+00 -2.1412805524017742e+00
|
|
1958 6.0167081385672005e-01 4.0005042102455185e-01 1.1371021087841289e+00
|
|
1972 2.1697376360095864e+00 -1.7131685588518277e+00 -3.5332564094367616e+00
|
|
1936 -8.3500495544609088e-01 -3.2214911469831380e+00 5.0319319392912920e+00
|
|
1879 -1.0605773142301542e+00 -2.3567925132230920e+00 3.5643150549476146e+00
|
|
1925 4.7959507182399991e-01 -7.3314790472469318e-02 2.4656685757843895e+00
|
|
1863 7.2375999876253172e-01 2.7676370901574407e+00 1.4044820445517183e-02
|
|
1858 -9.1673715697103697e-01 2.6241639124609533e+00 -5.1483231481547120e+00
|
|
1878 1.7412388316080725e+00 -1.7486928888837217e-01 -2.1531332040266680e+00
|
|
1934 1.4551175857090461e+00 3.0407382460095844e+00 6.3262511878527927e-01
|