element(s):
['Fe', 'Pd']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9005']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9005, 0, 0], [0, 3.9005, 0], [0, 0, 3.9005]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:17:22      -42.578265         6.194304
BFGS:    1 12:17:23      -43.365289         4.177693
BFGS:    2 12:17:23      -43.795407         1.423376
BFGS:    3 12:17:23      -43.840660         0.287538
BFGS:    4 12:17:24      -43.842362         0.025066
BFGS:    5 12:17:24      -43.842375         0.000270
BFGS:    6 12:17:24      -43.842375         0.000000
BFGS:    7 12:17:24      -43.842375         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.855028039190648e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.04660508e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.52783577e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.7816825195974526, 4.2929688517126184e-33, -2.3654609830422676e-34], [-4.342522670487096e-33, 3.7816825195974526, -3.044091591986827e-18], [-4.702685201116348e-33, -3.04409159198683e-18, 3.7816825195974526]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.85502804e-13  1.85502804e-13  1.85502804e-13  8.22766410e-29
 -1.14918266e-33 -2.55030275e-49]
energy per atom =  -10.960593708751972
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0