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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:27:07     -168.526933        18.033700
BFGS:    1 15:27:07     -170.381435        10.636570
BFGS:    2 15:27:07     -171.089735         6.491016
BFGS:    3 15:27:07     -171.610442         4.579389
BFGS:    4 15:27:07     -172.035218         3.943295
BFGS:    5 15:27:07     -172.376699         3.555238
BFGS:    6 15:27:07     -172.682849         3.295654
BFGS:    7 15:27:07     -172.942249         2.903289
BFGS:    8 15:27:07     -173.171032         2.569337
BFGS:    9 15:27:07     -173.363201         2.161958
BFGS:   10 15:27:07     -173.525939         1.898850
BFGS:   11 15:27:07     -173.654381         1.459003
BFGS:   12 15:27:07     -173.756580         1.178860
BFGS:   13 15:27:07     -173.828262         0.762184
BFGS:   14 15:27:07     -173.877323         0.511423
BFGS:   15 15:27:07     -173.903887         0.210896
BFGS:   16 15:27:07     -173.914263         0.097155
BFGS:   17 15:27:07     -173.914839         0.095744
BFGS:   18 15:27:07     -173.914934         0.039992
BFGS:   19 15:27:07     -173.914949         0.035952
BFGS:   20 15:27:07     -173.914983         0.009048
BFGS:   21 15:27:07     -173.914985         0.003465
BFGS:   22 15:27:07     -173.914985         0.000256
BFGS:   23 15:27:07     -173.914985         0.000010
BFGS:   24 15:27:07     -173.914985         0.000000
BFGS:   25 15:27:07     -173.914985         0.000000
Minimization converged after 25 steps.
Maximum force component: 2.1756445620638642e-09 eV/Angstrom
Maximum stress component: 1.0535397143932404e-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]
 [6.79099508e-01 0.00000000e+00 2.35098870e-38]
 [3.20900492e-01 3.15987570e-35 2.31911725e-87]
 [1.79099508e-01 5.00000000e-01 5.00000000e-01]
 [8.20900492e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.944173346760774, 0.0, 0.0], [0.0, 2.9694615186312285, -1.9253107208306092e-36], [0.0, 2.3490529749225745e-36, 3.468155272903173]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.17564456e-09  0.00000000e+00  0.00000000e+00]
 [-2.17564456e-09  0.00000000e+00  0.00000000e+00]
 [ 2.17564456e-09  0.00000000e+00  0.00000000e+00]
 [-2.17564456e-09 -1.83007195e-32  1.18656434e-68]]
stress =  [ 5.00509082e-11  1.05353971e-10 -7.48862952e-13 -7.20503060e-47
  0.00000000e+00  0.00000000e+00]
energy per atom =  -28.98583089532423
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0