element(s):
['Mo', 'Pt']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.499', '0.61002445', '1.1067348', '0.16188715', '0.66199497']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Pt']
representative atom coordinates =  [[0.25       0.         0.16188715]
 [0.25       0.5        0.66199497]]
spacegroup =  51
cell =  [[4.499, 0, 0], [0, 2.7445, 0], [0, 0, 4.9792]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:47:31      -24.525944         1.163920
BFGS:    1 15:47:31      -24.553115         0.995622
BFGS:    2 15:47:31      -24.603596         0.531003
BFGS:    3 15:47:31      -24.617928         0.239043
BFGS:    4 15:47:31      -24.620496         0.264588
BFGS:    5 15:47:31      -24.629502         0.282858
BFGS:    6 15:47:31      -24.636193         0.208552
BFGS:    7 15:47:31      -24.639278         0.097071
BFGS:    8 15:47:31      -24.639897         0.053749
BFGS:    9 15:47:31      -24.640116         0.046155
BFGS:   10 15:47:31      -24.640285         0.034476
BFGS:   11 15:47:31      -24.640426         0.030709
BFGS:   12 15:47:31      -24.640477         0.023360
BFGS:   13 15:47:31      -24.640508         0.018347
BFGS:   14 15:47:31      -24.640545         0.013903
BFGS:   15 15:47:31      -24.640582         0.012336
BFGS:   16 15:47:31      -24.640598         0.005300
BFGS:   17 15:47:31      -24.640600         0.001114
BFGS:   18 15:47:31      -24.640600         0.000413
BFGS:   19 15:47:31      -24.640600         0.000408
BFGS:   20 15:47:31      -24.640600         0.000404
BFGS:   21 15:47:31      -24.640600         0.000480
BFGS:   22 15:47:31      -24.640600         0.000411
BFGS:   23 15:47:31      -24.640600         0.000234
BFGS:   24 15:47:31      -24.640600         0.000063
BFGS:   25 15:47:31      -24.640600         0.000005
BFGS:   26 15:47:31      -24.640600         0.000000
BFGS:   27 15:47:31      -24.640600         0.000000
BFGS:   28 15:47:31      -24.640600         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.0466893049950297e-10 eV/Angstrom
Maximum stress component: 2.9003396611065925e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Pt', 'Pt']
basis =  [[2.50000000e-01 0.00000000e+00 1.52003221e-01]
 [7.50000000e-01 5.27326766e-35 8.47996779e-01]
 [2.50000000e-01 5.00000000e-01 6.57044389e-01]
 [7.50000000e-01 5.00000000e-01 3.42955611e-01]]
cellpar =  Cell([[4.709363284702128, 2.4291438649118737e-35, 0.0], [-2.512209758812525e-35, 2.754966931714962, 0.0], [0.0, 0.0, 4.920384246441936]])
forces =  [[-5.80473841e-32 -2.99415098e-67 -2.15360322e-10]
 [ 5.80473841e-32  2.99415098e-67  2.15360322e-10]
 [ 0.00000000e+00  0.00000000e+00  3.04668930e-10]
 [ 0.00000000e+00  0.00000000e+00 -3.04668930e-10]]
stress =  [1.29789019e-11 2.90033966e-11 2.83108758e-13 0.00000000e+00
 0.00000000e+00 2.37509992e-34]
energy per atom =  -6.160150108690398
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0