element(s):
['Fe', 'P']
AFLOW prototype label:
A4B_tP5_123_ace_b
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:
['4.2832', '1.0202419']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Fe', 'P']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.  0.  0.5]]
spacegroup =  123
cell =  [[4.2832, 0, 0], [0, 4.2832, 0], [0, 0, 4.3699]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:44:23      -31.834559        11.629038
BFGS:    1 15:44:23      -32.910370         8.189549
BFGS:    2 15:44:23      -33.682245         5.341915
BFGS:    3 15:44:23      -34.155792         2.984706
BFGS:    4 15:44:23      -34.381379         1.053877
BFGS:    5 15:44:23      -34.415609         0.144816
BFGS:    6 15:44:23      -34.416220         0.033187
BFGS:    7 15:44:23      -34.416239         0.015590
BFGS:    8 15:44:23      -34.416242         0.001897
BFGS:    9 15:44:23      -34.416242         0.000188
BFGS:   10 15:44:23      -34.416242         0.000007
BFGS:   11 15:44:23      -34.416242         0.000000
BFGS:   12 15:44:23      -34.416242         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7440941843165395e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'P']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [1.55790231e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.29780598e-35 5.00000000e-01]
 [1.22150993e-48 8.59561197e-35 5.00000000e-01]]
cellpar =  Cell([[4.481193314977413, 2.977917756776603e-34, -3.2981194603570444e-32], [8.284281332565806e-35, 4.481193314977412, -2.650987243285941e-18], [3.788707141167014e-32, -2.7212333899633042e-18, 4.481193314937228]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.39119632e-11 -7.39119632e-11 -1.74409418e-10 -2.23239593e-26
 -9.82094058e-33 -1.85650732e-48]
energy per atom =  -6.8832483902874815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A4B_tP5_123_ace_b, while relaxed is A4B_cP5_221_ac_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.