element(s):
['P']
AFLOW prototype label:
A_tI4_139_e
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4848', '4.3092402', '0.10450128']
model name:
EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['P']
representative atom coordinates =  [[0.         0.         0.10450128]]
spacegroup =  139
cell =  [[2.4848, 0, 0], [0, 2.4848, 0], [0, 0, 10.7076]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:11:49        5.721156       10.1204
BFGS:    1 17:11:49        3.647536        9.0266
BFGS:    2 17:11:49        2.062325        8.0963
BFGS:    3 17:11:49        0.786316        7.2718
BFGS:    4 17:11:49       -0.276346        6.5284
BFGS:    5 17:11:49       -1.184077        5.8524
BFGS:    6 17:11:49       -1.971684        5.2356
BFGS:    7 17:11:49       -2.659699        4.6718
BFGS:    8 17:11:49       -3.262642        4.1552
BFGS:    9 17:11:49       -3.791419        3.6811
BFGS:   10 17:11:49       -4.254585        3.2453
BFGS:   11 17:11:49       -4.659061        2.8439
BFGS:   12 17:11:49       -5.010565        2.4734
BFGS:   13 17:11:49       -5.313890        2.1302
BFGS:   14 17:11:49       -5.573081        1.8109
BFGS:   15 17:11:49       -5.791564        1.5124
BFGS:   16 17:11:49       -5.972274        1.2329
BFGS:   17 17:11:49       -6.118443        0.9781
BFGS:   18 17:11:49       -6.233813        0.7485
BFGS:   19 17:11:49       -6.321961        0.5436
BFGS:   20 17:11:49       -6.386273        0.3627
BFGS:   21 17:11:49       -6.429902        0.2739
BFGS:   22 17:11:49       -6.455833        0.3207
BFGS:   23 17:11:49       -6.466927        0.3356
BFGS:   24 17:11:49       -6.469427        0.3163
BFGS:   25 17:11:49       -6.473801        0.2438
BFGS:   26 17:11:49       -6.477312        0.1483
BFGS:   27 17:11:49       -6.479644        0.1049
BFGS:   28 17:11:49       -6.480756        0.0891
BFGS:   29 17:11:49       -6.481650        0.0700
BFGS:   30 17:11:49       -6.482812        0.0526
BFGS:   31 17:11:49       -6.483593        0.0212
BFGS:   32 17:11:49       -6.483805        0.0058
BFGS:   33 17:11:49       -6.483821        0.0012
BFGS:   34 17:11:49       -6.483822        0.0001
BFGS:   35 17:11:49       -6.483822        0.0000
BFGS:   36 17:11:49       -6.483822        0.0000
BFGS:   37 17:11:49       -6.483822        0.0000
BFGS:   38 17:11:49       -6.483822        0.0000
Minimization converged after 38 steps.
Maximum force component: 3.391750152837344e-10 eV/Angstrom
Maximum stress component: 7.582345325870301e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['P', 'P', 'P', 'P']
basis =  [[0.00000000e+00 0.00000000e+00 1.41442267e-01]
 [1.65810531e-33 1.60045605e-16 8.58557733e-01]
 [5.00000000e-01 5.00000000e-01 6.41442267e-01]
 [5.00000000e-01 5.00000000e-01 3.58557733e-01]]
cellpar =  Cell([[3.2142627338968444, 3.401778184104286e-35, -9.626328729941147e-32], [5.761534504565999e-35, 3.2142627338968435, -1.4204143660736245e-17], [1.1462180955270792e-33, -7.34477245709451e-16, 11.233003997270384]])
forces =  [[-6.19044485e-34  2.21771800e-26 -3.39175015e-10]
 [-2.47617794e-33 -2.21771804e-26  3.39175015e-10]
 [-3.46094900e-44  2.21771794e-26 -3.39175015e-10]
 [-1.23808897e-33 -2.21771794e-26  3.39175015e-10]]
stress =  [-1.99379374e-11 -1.99379374e-11  7.58234533e-11 -3.65703294e-26
 -1.70692004e-34  8.51780562e-50]
energy per atom =  -1.6209554048201722
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0