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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 15:52:13      -19.698760         0.469465
BFGS:    1 15:52:13      -19.708380         0.438672
BFGS:    2 15:52:13      -19.769125         0.303442
BFGS:    3 15:52:13      -19.809680         0.308430
BFGS:    4 15:52:13      -19.827010         0.243457
BFGS:    5 15:52:13      -19.829851         0.204599
BFGS:    6 15:52:13      -19.840167         0.129783
BFGS:    7 15:52:13      -19.840852         0.124076
BFGS:    8 15:52:13      -19.847304         0.123451
BFGS:    9 15:52:13      -19.849059         0.131627
BFGS:   10 15:52:13      -19.850098         0.123072
BFGS:   11 15:52:13      -19.850682         0.106524
BFGS:   12 15:52:13      -19.851841         0.060329
BFGS:   13 15:52:14      -19.852633         0.037167
BFGS:   14 15:52:14      -19.852915         0.014906
BFGS:   15 15:52:14      -19.852946         0.002448
BFGS:   16 15:52:14      -19.852947         0.000298
BFGS:   17 15:52:14      -19.852947         0.000017
BFGS:   18 15:52:14      -19.852947         0.000001
BFGS:   19 15:52:14      -19.852947         0.000000
BFGS:   20 15:52:14      -19.852947         0.000000
Minimization converged after 20 steps.
Maximum force component: 8.124423019406525e-09 eV/Angstrom
Maximum stress component: 1.917630736765243e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pt', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.62444376]
 [0.66666667 0.33333333 0.37555624]
 [0.33333333 0.66666667 0.14432496]
 [0.66666667 0.33333333 0.85567504]]
cellpar =  Cell([[4.1625383328069665, -1.2351861447316888e-17, 2.273576069199047e-36], [-2.0812691664034833, 3.604863940437358, -1.5219495515417007e-36], [-9.927860833123519e-37, -2.562180642362579e-36, 5.465433623472403]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.71024154e-32 -2.96222524e-32 -1.30655842e-09]
 [ 1.71024154e-32  2.96222524e-32  1.30655842e-09]
 [ 1.36819323e-31 -1.18489010e-31  8.12442302e-09]
 [-1.36819323e-31  1.18489010e-31 -8.12442302e-09]]
stress =  [ 3.27444196e-12  3.27444196e-12  1.91763074e-10 -6.36437741e-46
 -3.32243912e-46  1.15300492e-27]
energy per atom =  -3.9705894587115957
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0