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 09:36:31      -37.136614        38.572418
BFGS:    1 09:36:31      -42.082415        27.764117
BFGS:    2 09:36:31      -45.572181        19.085495
BFGS:    3 09:36:31      -47.896558        12.154692
BFGS:    4 09:36:31      -49.295222         6.675008
BFGS:    5 09:36:31      -49.954233         2.284236
BFGS:    6 09:36:31      -50.056703         0.381887
BFGS:    7 09:36:31      -50.059902         0.028128
BFGS:    8 09:36:31      -50.059920         0.000386
BFGS:    9 09:36:31      -50.059920         0.000000
BFGS:   10 09:36:31      -50.059920         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8613020610899765e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Y']
basis =  [[3.10722391e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.79873849e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.404109813562859, 1.7927217364493408e-33, 3.0384430720926708e-33], [-1.698101500394906e-32, 4.404109813562859, 5.823250429448038e-17], [8.007883298142632e-33, 5.823250429448036e-17, 4.404109813562859]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.86130206e-13 -2.86130206e-13 -2.86130206e-13  5.78334310e-29
  0.00000000e+00  1.91592961e-61]
energy per atom =  -12.514980013444942
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0