element(s):
['Pd', 'Y']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1144']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Y']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.1144, 0, 0], [0, 4.1144, 0], [0, 0, 4.1144]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 03:41:19      -37.136614       38.5724
BFGS:    1 03:41:19      -42.082415       27.7641
BFGS:    2 03:41:19      -45.572181       19.0855
BFGS:    3 03:41:19      -47.896558       12.1547
BFGS:    4 03:41:19      -49.295222        6.6750
BFGS:    5 03:41:19      -49.954233        2.2842
BFGS:    6 03:41:19      -50.056703        0.3819
BFGS:    7 03:41:19      -50.059902        0.0281
BFGS:    8 03:41:19      -50.059920        0.0004
BFGS:    9 03:41:19      -50.059920        0.0000
BFGS:   10 03:41:19      -50.059920        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8938113434527095e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Y']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[4.404109813562858, 1.5921733984999077e-32, -3.942179769217063e-35], [5.528834069798748e-33, 4.404109813562858, 6.350915966609455e-17], [6.490931707203946e-34, 6.350915966609455e-17, 4.404109813562858]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.89381134e-13 -2.89381134e-13 -2.89381134e-13 -1.66020675e-30
  8.47311143e-34  2.18143533e-50]
energy per atom =  -12.514980013444937
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0