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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:39:48      -81.671598        15.374479
BFGS:    1 17:39:48      -84.293156        13.723312
BFGS:    2 17:39:48      -86.189291        11.980511
BFGS:    3 17:39:48      -87.806332         9.724412
BFGS:    4 17:39:48      -89.058325         6.722026
BFGS:    5 17:39:48      -89.770718         2.955348
BFGS:    6 17:39:48      -89.900302         0.661443
BFGS:    7 17:39:48      -89.906864         0.053344
BFGS:    8 17:39:49      -89.906900         0.019375
BFGS:    9 17:39:49      -89.906901         0.011989
BFGS:   10 17:39:49      -89.906902         0.000214
BFGS:   11 17:39:49      -89.906902         0.000064
BFGS:   12 17:39:49      -89.906902         0.000001
BFGS:   13 17:39:49      -89.906902         0.000000
BFGS:   14 17:39:49      -89.906902         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.6597947053392033e-09 eV/Angstrom
Maximum stress component: 1.61921677627138e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pt', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.64779774]
 [0.66666667 0.33333333 0.35220226]
 [0.33333333 0.66666667 0.1541466 ]
 [0.66666667 0.33333333 0.8458534 ]]
cellpar =  Cell([[3.9848102722812913, 3.43592119154657e-17, -1.4126253338124247e-36], [-1.9924051361406456, 3.4509469250567846, 2.242671149449061e-35], [-4.859713341009802e-35, 2.7634012782801777e-35, 4.933932119083679]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.23910173e-31  9.07439038e-31 -2.65979471e-09]
 [ 5.23910173e-31  9.07439038e-31  2.65979471e-09]
 [-5.23910173e-31  9.07439038e-31 -1.34798803e-09]
 [-1.32771090e-44  7.54982389e-45  1.34798803e-09]]
stress =  [-1.21115008e-10 -1.21115008e-10  1.61921678e-10  7.72178549e-33
  1.33745248e-32  1.20292352e-26]
energy per atom =  -17.98138049439855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0