element(s):
['Al', 'Pt']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2174', '1.2341253', '0.64850451', '0.16876856']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Pt']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.64850451]
 [0.33333333 0.66666667 0.16876856]]
spacegroup =  164
cell =  [[4.2174, 0, 0], [-2.1087, 3.6523755379205, 0], [0, 0, 5.2048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:45      -24.613070         1.315097
BFGS:    1 16:39:45      -24.679973         0.836948
BFGS:    2 16:39:45      -24.735399         0.227565
BFGS:    3 16:39:45      -24.737285         0.202754
BFGS:    4 16:39:45      -24.741561         0.112038
BFGS:    5 16:39:45      -24.743510         0.115301
BFGS:    6 16:39:45      -24.744364         0.120458
BFGS:    7 16:39:45      -24.744747         0.108810
BFGS:    8 16:39:45      -24.745287         0.072215
BFGS:    9 16:39:45      -24.745681         0.043254
BFGS:   10 16:39:45      -24.745817         0.012649
BFGS:   11 16:39:45      -24.745830         0.003074
BFGS:   12 16:39:45      -24.745830         0.001302
BFGS:   13 16:39:45      -24.745830         0.001067
BFGS:   14 16:39:45      -24.745830         0.000422
BFGS:   15 16:39:45      -24.745830         0.000121
BFGS:   16 16:39:45      -24.745830         0.000019
BFGS:   17 16:39:46      -24.745830         0.000001
BFGS:   18 16:39:46      -24.745830         0.000000
BFGS:   19 16:39:46      -24.745830         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.2440966461392126e-09 eV/Angstrom
Maximum stress component: 1.093911326681169e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pt', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.65871456]
 [0.66666667 0.33333333 0.34128544]
 [0.33333333 0.66666667 0.15928496]
 [0.66666667 0.33333333 0.84071504]]
cellpar =  Cell([[4.260262362921373, -9.183651229848101e-18, -1.250815670369025e-38], [-2.1301311814606865, 3.6894954330766283, 6.577580934421011e-38], [6.436632614452819e-36, 4.8544749511723604e-36, 5.163308834202029]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.55102162e-31  3.03176949e-31  2.24409665e-09]
 [ 2.10047152e-31 -1.81906169e-31 -2.24409665e-09]
 [ 1.31279470e-31  1.21270779e-31  8.45170666e-10]
 [ 7.00157172e-32  1.21270779e-31 -8.45170666e-10]]
stress =  [ 5.48428545e-11  5.48428545e-11 -1.09391133e-10  4.31354289e-34
  7.47127545e-34  2.83789792e-27]
energy per atom =  -4.949166098512405
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0