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:
MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_002
==== 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 21:38:56      -38.611998         0.772876
BFGS:    1 21:38:56      -38.636157         0.672290
BFGS:    2 21:38:56      -38.674495         0.223509
BFGS:    3 21:38:56      -38.677090         0.184911
BFGS:    4 21:38:56      -38.680157         0.133096
BFGS:    5 21:38:56      -38.680856         0.086780
BFGS:    6 21:38:56      -38.681187         0.099938
BFGS:    7 21:38:56      -38.681633         0.094785
BFGS:    8 21:38:56      -38.682131         0.060330
BFGS:    9 21:38:57      -38.682394         0.023558
BFGS:   10 21:38:57      -38.682444         0.007777
BFGS:   11 21:38:57      -38.682447         0.004693
BFGS:   12 21:38:57      -38.682448         0.004152
BFGS:   13 21:38:57      -38.682450         0.004138
BFGS:   14 21:38:57      -38.682452         0.004240
BFGS:   15 21:38:57      -38.682454         0.002472
BFGS:   16 21:38:57      -38.682455         0.000632
BFGS:   17 21:38:57      -38.682455         0.000076
BFGS:   18 21:38:57      -38.682455         0.000005
BFGS:   19 21:38:57      -38.682455         0.000000
BFGS:   20 21:38:57      -38.682455         0.000000
Minimization converged after 20 steps.
Maximum force component: 5.625890015946347e-09 eV/Angstrom
Maximum stress component: 6.21390354464495e-10 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]
 [6.65844800e-01 0.00000000e+00 5.44122624e-38]
 [3.34155200e-01 0.00000000e+00 9.29145632e-38]
 [1.65844800e-01 5.00000000e-01 5.00000000e-01]
 [8.34155200e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.19992463292762, 0.0, 0.0], [0.0, 2.7683132099022396, 2.072774321993832e-38], [0.0, -4.644971190164997e-37, 3.9331633975271436]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.62589002e-09  0.00000000e+00  0.00000000e+00]
 [ 5.62589002e-09  0.00000000e+00  0.00000000e+00]
 [-5.62589002e-09  0.00000000e+00  0.00000000e+00]
 [ 5.62589002e-09  0.00000000e+00  0.00000000e+00]]
stress =  [-6.21390354e-10  2.11727868e-10 -2.69099514e-10  8.91561487e-47
  0.00000000e+00  0.00000000e+00]
energy per atom =  -6.447075784001243
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0