element(s):
['Al', 'Cu', 'Pt']
AFLOW prototype label:
ABC2_tP4_123_a_c_e
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9869', '0.87576814']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.9869, 0, 0], [0, 3.9869, 0], [0, 0, 3.4916]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:10:56      -18.043453        1.4715
BFGS:    1 11:10:56      -18.101618        1.2608
BFGS:    2 11:10:56      -18.196325        0.8133
BFGS:    3 11:10:56      -18.242485        0.4628
BFGS:    4 11:10:56      -18.253920        0.2431
BFGS:    5 11:10:56      -18.256001        0.2033
BFGS:    6 11:10:56      -18.265640        0.3184
BFGS:    7 11:10:56      -18.276451        0.3899
BFGS:    8 11:10:56      -18.288772        0.4345
BFGS:    9 11:10:56      -18.302197        0.4597
BFGS:   10 11:10:56      -18.316301        0.4679
BFGS:   11 11:10:56      -18.330655        0.4594
BFGS:   12 11:10:56      -18.344791        0.4333
BFGS:   13 11:10:56      -18.358095        0.3864
BFGS:   14 11:10:57      -18.369794        0.3130
BFGS:   15 11:10:57      -18.378813        0.2019
BFGS:   16 11:10:57      -18.382673        0.0796
BFGS:   17 11:10:57      -18.383421        0.0519
BFGS:   18 11:10:57      -18.384027        0.0005
BFGS:   19 11:10:57      -18.384027        0.0000
BFGS:   20 11:10:57      -18.384027        0.0000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.7086036675078294e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [4.12368458e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.59539753e-33 5.00000000e-01]]
cellpar =  Cell([[3.8629719033152203, -7.125970020384342e-35, 4.229033134873054e-33], [-5.10654578424909e-35, 3.8629719033152194, 3.613177041803638e-17], [-3.1521508743301433e-32, 3.252369460239501e-17, 4.073429446695974]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.70860367e-11  4.70860367e-11  2.08382412e-11 -7.01505850e-27
 -1.56663818e-33  4.11449186e-49]
energy per atom =  -4.596006726724372
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0