element(s):
['Al', 'Pd']
AFLOW prototype label:
AB_cP8_198_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8859', '0.84377254', '0.14788294']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.84377254 0.84377254 0.84377254]
 [0.14788294 0.14788294 0.14788294]]
spacegroup =  198
cell =  [[4.8859, 0, 0], [0, 4.8859, 0], [0, 0, 4.8859]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:39      -26.693418        1.3197
BFGS:    1 15:22:39      -26.776116        1.2498
BFGS:    2 15:22:39      -26.966542        1.0659
BFGS:    3 15:22:39      -27.120026        0.8886
BFGS:    4 15:22:39      -27.241299        0.7189
BFGS:    5 15:22:39      -27.334087        0.5578
BFGS:    6 15:22:39      -27.401559        0.4042
BFGS:    7 15:22:39      -27.446366        0.2561
BFGS:    8 15:22:39      -27.470840        0.1694
BFGS:    9 15:22:39      -27.478157        0.1631
BFGS:   10 15:22:39      -27.481842        0.1417
BFGS:   11 15:22:39      -27.489163        0.0646
BFGS:   12 15:22:39      -27.491381        0.0233
BFGS:   13 15:22:39      -27.491692        0.0080
BFGS:   14 15:22:39      -27.491711        0.0058
BFGS:   15 15:22:39      -27.491714        0.0045
BFGS:   16 15:22:39      -27.491720        0.0031
BFGS:   17 15:22:39      -27.491724        0.0016
BFGS:   18 15:22:39      -27.491725        0.0004
BFGS:   19 15:22:39      -27.491725        0.0001
BFGS:   20 15:22:39      -27.491725        0.0000
BFGS:   21 15:22:39      -27.491725        0.0000
BFGS:   22 15:22:39      -27.491725        0.0000
Minimization converged after 22 steps.
Maximum force component: 2.6599762802187576e-09 eV/Angstrom
Maximum stress component: 2.963568037424611e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.84711057 0.84711057 0.84711057]
 [0.65288943 0.15288943 0.34711057]
 [0.15288943 0.34711057 0.65288943]
 [0.34711057 0.65288943 0.15288943]
 [0.15113482 0.15113482 0.15113482]
 [0.34886518 0.84886518 0.65113482]
 [0.84886518 0.65113482 0.34886518]
 [0.65113482 0.34886518 0.84886518]]
cellpar =  Cell([5.1342913731441016, 5.1342913731441016, 5.1342913731441016])
forces =  [[ 2.65997628e-09  2.65997628e-09  2.65997628e-09]
 [-2.65997628e-09 -2.65997628e-09  2.65997628e-09]
 [-2.65997628e-09  2.65997628e-09 -2.65997628e-09]
 [ 2.65997628e-09 -2.65997628e-09 -2.65997628e-09]
 [ 2.18994083e-09  2.18994083e-09  2.18994083e-09]
 [-2.18994083e-09 -2.18994083e-09  2.18994083e-09]
 [-2.18994083e-09  2.18994083e-09 -2.18994083e-09]
 [ 2.18994083e-09 -2.18994083e-09 -2.18994083e-09]]
stress =  [2.96356804e-10 2.96356804e-10 2.96356804e-10 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -3.4364656275012693
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0