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pair_coeff 1 2 lj/cut   0.01273  2.9943 10
pair_coeff 1 1 lj/cut   0.00288  3.5000 10

pair_coeff 2 2 eam  Au_u3.eam


ÕâÊÇËã³öÀ´µÄ²¿·Ö½á¹û
Step tempau PotEng KinEng TotEng Press
       0            0      4522288            0      4522288 5.1996866e+08
     100    307.07543    4522271.5     17.86165    4522289.4 5.1997868e+08
     200     360.5601    4522270.6    20.972691    4522291.5 5.1998058e+08
     300    225.81346    4522280.5    13.134887    4522293.6 5.1997687e+08
     400    222.56927    4522283.5    12.946182    4522296.4 5.1998249e+08
     500    298.79333    4522280.8    17.379905    4522298.1 5.1997551e+08
     600    352.69761    4522277.8    20.515354    4522298.3 5.1997417e+08
     700    291.82476    4522280.2    16.974564    4522297.2 5.1997758e+08
     800     275.6671      4522279    16.034722    4522295.1 5.1997591e+08
     900    408.21137    4522270.9    23.744421    4522294.7 5.1997991e+08
    1000    260.68251    4522276.8    15.163114      4522292 5.1998038e+08
    1100    288.10594      4522275    16.758252    4522291.8 5.1997747e+08
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