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 16:33:09      -81.671598        15.374479
BFGS:    1 16:33:09      -84.293156        13.723312
BFGS:    2 16:33:09      -86.189291        11.980511
BFGS:    3 16:33:10      -87.806332         9.724412
BFGS:    4 16:33:10      -89.058325         6.722026
BFGS:    5 16:33:10      -89.770718         2.955348
BFGS:    6 16:33:11      -89.900302         0.661443
BFGS:    7 16:33:11      -89.906864         0.053344
BFGS:    8 16:33:11      -89.906900         0.019375
BFGS:    9 16:33:11      -89.906901         0.011989
BFGS:   10 16:33:12      -89.906902         0.000214
BFGS:   11 16:33:12      -89.906902         0.000064
BFGS:   12 16:33:12      -89.906902         0.000001
BFGS:   13 16:33:12      -89.906902         0.000000
BFGS:   14 16:33:13      -89.906902         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.6597688444068845e-09 eV/Angstrom
Maximum stress component: 1.6191877804878437e-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([[3.984810272281292, 5.419915000653287e-19, -3.686181193507888e-37], [-1.992405136140646, 3.4509469250567832, 6.465548706471853e-38], [3.600682143754631e-36, 1.3288684379279882e-36, 4.933932119083679]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.61955087e-31 -4.53719519e-31 -2.65976884e-09]
 [ 5.23910173e-31 -4.53719519e-31  2.65976884e-09]
 [ 1.04782035e-30  1.81487808e-30 -1.34796296e-09]
 [ 3.66737121e-30 -2.72231712e-30  1.34796296e-09]]
stress =  [-1.21116383e-10 -1.21116383e-10  1.61918778e-10 -3.43477776e-46
 -2.88624219e-47 -1.51503193e-26]
energy per atom =  -17.981380494398543
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0