element(s):
['Mo', 'Pt']
AFLOW prototype label:
AB2_oI6_71_a_e
Parameter names:
['a', 'b/a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3306', '0.47557199', '0.33306124', '0.66371438']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Pt']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.66371438 0.         0.        ]]
spacegroup =  71
cell =  [[8.3306, 0, 0], [0, 2.7746, 0], [0, 0, 3.9618]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:26:58      -36.249813         0.350174
BFGS:    1 13:26:58      -36.258131         0.283698
BFGS:    2 13:26:58      -36.275717         0.090611
BFGS:    3 13:26:58      -36.276061         0.100025
BFGS:    4 13:26:58      -36.276729         0.107873
BFGS:    5 13:26:58      -36.277982         0.105100
BFGS:    6 13:26:58      -36.279728         0.078279
BFGS:    7 13:26:58      -36.280941         0.087658
BFGS:    8 13:26:58      -36.281386         0.072231
BFGS:    9 13:26:58      -36.281523         0.057161
BFGS:   10 13:26:58      -36.281651         0.043637
BFGS:   11 13:26:58      -36.281959         0.049155
BFGS:   12 13:26:58      -36.282385         0.060929
BFGS:   13 13:26:58      -36.282800         0.059813
BFGS:   14 13:26:58      -36.283042         0.045439
BFGS:   15 13:26:58      -36.283170         0.030894
BFGS:   16 13:26:58      -36.283269         0.018273
BFGS:   17 13:26:58      -36.283346         0.010047
BFGS:   18 13:26:58      -36.283370         0.003689
BFGS:   19 13:26:58      -36.283372         0.000765
BFGS:   20 13:26:58      -36.283372         0.000064
BFGS:   21 13:26:58      -36.283372         0.000003
BFGS:   22 13:26:58      -36.283372         0.000000
BFGS:   23 13:26:58      -36.283372         0.000000
Minimization converged after 23 steps.
Maximum force component: 7.173975185089522e-10 eV/Angstrom
Maximum stress component: 7.642979634755345e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [6.67312554e-01 0.00000000e+00 8.22846046e-38]
 [3.32687446e-01 0.00000000e+00 0.00000000e+00]
 [1.67312554e-01 5.00000000e-01 5.00000000e-01]
 [8.32687446e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.316478897168306, 0.0, 0.0], [0.0, 2.743482122683586, -1.17767333348768e-37], [0.0, -2.958690435680526e-37, 4.049294177658444]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.17397519e-10  0.00000000e+00  0.00000000e+00]
 [-7.17397519e-10  0.00000000e+00  0.00000000e+00]
 [ 7.17397519e-10  0.00000000e+00  0.00000000e+00]
 [-7.17397519e-10  0.00000000e+00  0.00000000e+00]]
stress =  [ 5.71564612e-11 -2.82416755e-12 -7.64297963e-11  1.38691233e-34
  0.00000000e+00  0.00000000e+00]
energy per atom =  -6.047228733541947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0