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 16:50:59      -31.834559        11.629038
BFGS:    1 16:50:59      -32.910370         8.189549
BFGS:    2 16:50:59      -33.682245         5.341915
BFGS:    3 16:50:59      -34.155792         2.984706
BFGS:    4 16:50:59      -34.381379         1.053877
BFGS:    5 16:51:00      -34.415609         0.144816
BFGS:    6 16:51:00      -34.416220         0.033187
BFGS:    7 16:51:00      -34.416239         0.015590
BFGS:    8 16:51:00      -34.416242         0.001897
BFGS:    9 16:51:00      -34.416242         0.000188
BFGS:   10 16:51:00      -34.416242         0.000007
BFGS:   11 16:51:00      -34.416242         0.000000
BFGS:   12 16:51:00      -34.416242         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7441109633948072e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'P']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.  0.  0.5]]
cellpar =  Cell([[4.4811933149774115, 2.6723927491601066e-34, 6.776947455639861e-32], [6.765531486209574e-35, 4.481193314977415, 1.0472277649716257e-17], [-5.191060559217569e-34, 1.0454069781248515e-17, 4.481193314937227]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.39107787e-11 -7.39107787e-11 -1.74411096e-10  1.01058754e-25
  1.16420605e-44 -5.60891574e-60]
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.