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:
MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_002
==== 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 21:38:37      -26.268720         1.003652
BFGS:    1 21:38:37      -26.298152         0.894198
BFGS:    2 21:38:37      -26.362728         0.422357
BFGS:    3 21:38:37      -26.378086         0.503020
BFGS:    4 21:38:37      -26.388672         0.474749
BFGS:    5 21:38:37      -26.412360         0.326215
BFGS:    6 21:38:37      -26.414528         0.245258
BFGS:    7 21:38:37      -26.418213         0.145045
BFGS:    8 21:38:37      -26.418860         0.123255
BFGS:    9 21:38:37      -26.420028         0.077695
BFGS:   10 21:38:37      -26.420412         0.047592
BFGS:   11 21:38:37      -26.420508         0.020068
BFGS:   12 21:38:38      -26.420527         0.015858
BFGS:   13 21:38:38      -26.420547         0.012472
BFGS:   14 21:38:38      -26.420556         0.005169
BFGS:   15 21:38:38      -26.420558         0.000894
BFGS:   16 21:38:38      -26.420558         0.000122
BFGS:   17 21:38:38      -26.420558         0.000007
BFGS:   18 21:38:38      -26.420558         0.000000
BFGS:   19 21:38:38      -26.420558         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.690643810185356e-09 eV/Angstrom
Maximum stress component: 3.955166145701892e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Pt', 'Pt']
basis =  [[0.25       0.         0.17528397]
 [0.75       0.         0.82471603]
 [0.25       0.5        0.67140586]
 [0.75       0.5        0.32859414]]
cellpar =  Cell([[4.46990077961776, 1.1152763552477203e-35, 0.0], [7.848362411750815e-36, 2.785693316868706, 0.0], [0.0, 0.0, 4.756328797820827]])
forces =  [[ 0.00000000e+00  0.00000000e+00 -3.68489390e-10]
 [ 1.81384754e-68  6.43806021e-33  3.68489390e-10]
 [ 3.70174778e-32  4.29204014e-33  2.69064381e-09]
 [ 1.10191562e-31  2.74936848e-67 -2.69064381e-09]]
stress =  [3.95516615e-10 3.37012977e-10 1.38869520e-10 0.00000000e+00
 0.00000000e+00 9.89895328e-34]
energy per atom =  -6.60513954833786
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0