element(s):
['P']
AFLOW prototype label:
A_oI4_74_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0446', '0.67773461', '0.7362328', '0.20058005']
model name:
EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['P']
representative atom coordinates =  [[0.         0.25       0.54941995]]
spacegroup =  74
cell =  [[3.4189, 0, 0], [0, 5.0446, 0], [0, 0, 3.714]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:57:06        5.273425        9.5514
BFGS:    1 16:57:06        3.828861        8.4518
BFGS:    2 16:57:06        2.454620        7.3885
BFGS:    3 16:57:06        1.286535        6.6044
BFGS:    4 16:57:06        0.292231        6.0233
BFGS:    5 16:57:06       -0.559408        5.5016
BFGS:    6 16:57:06       -1.294213        5.0289
BFGS:    7 16:57:06       -1.931055        4.5943
BFGS:    8 16:57:06       -2.484797        4.1919
BFGS:    9 16:57:06       -2.967462        3.8165
BFGS:   10 16:57:06       -3.388780        3.4640
BFGS:   11 16:57:06       -3.756634        3.1311
BFGS:   12 16:57:06       -4.077506        2.8194
BFGS:   13 16:57:06       -4.356648        2.5278
BFGS:   14 16:57:06       -4.598440        2.2550
BFGS:   15 16:57:06       -4.806602        1.9997
BFGS:   16 16:57:06       -4.984334        1.7610
BFGS:   17 16:57:06       -5.134405        1.5374
BFGS:   18 16:57:06       -5.259371        1.3299
BFGS:   19 16:57:06       -5.361866        1.1380
BFGS:   20 16:57:06       -5.444316        0.9604
BFGS:   21 16:57:06       -5.508922        0.7958
BFGS:   22 16:57:06       -5.557726        0.6432
BFGS:   23 16:57:06       -5.592681        0.5019
BFGS:   24 16:57:06       -5.615781        0.3716
BFGS:   25 16:57:06       -5.629330        0.3664
BFGS:   26 16:57:06       -5.636783        0.4594
BFGS:   27 16:57:06       -5.642536        0.5100
BFGS:   28 16:57:06       -5.655131        0.5817
BFGS:   29 16:57:06       -5.670691        0.6474
BFGS:   30 16:57:06       -5.688679        0.7093
BFGS:   31 16:57:06       -5.708495        0.7684
BFGS:   32 16:57:06       -5.729655        0.8249
BFGS:   33 16:57:06       -5.751811        0.8785
BFGS:   34 16:57:06       -5.774735        0.9287
BFGS:   35 16:57:06       -5.798269        0.9747
BFGS:   36 16:57:06       -5.822286        1.0155
BFGS:   37 16:57:06       -5.846656        1.0499
BFGS:   38 16:57:06       -5.871231        1.0766
BFGS:   39 16:57:06       -5.895837        1.0941
BFGS:   40 16:57:06       -5.920265        1.1004
BFGS:   41 16:57:06       -5.944262        1.0934
BFGS:   42 16:57:06       -5.967539        1.0705
BFGS:   43 16:57:06       -5.989766        1.0284
BFGS:   44 16:57:06       -6.010604        0.9628
BFGS:   45 16:57:06       -6.029531        0.8686
BFGS:   46 16:57:06       -6.045993        0.7431
BFGS:   47 16:57:06       -6.061099        0.5805
BFGS:   48 16:57:06       -6.078961        0.4708
BFGS:   49 16:57:06       -6.110863        0.4093
BFGS:   50 16:57:06       -6.146353        0.3329
BFGS:   51 16:57:06       -6.174737        0.2628
BFGS:   52 16:57:06       -6.195222        0.1982
BFGS:   53 16:57:06       -6.209001        0.1437
BFGS:   54 16:57:06       -6.216258        0.0792
BFGS:   55 16:57:06       -6.217676        0.0761
BFGS:   56 16:57:06       -6.217907        0.0679
BFGS:   57 16:57:06       -6.218285        0.0631
BFGS:   58 16:57:06       -6.218492        0.0581
BFGS:   59 16:57:06       -6.218772        0.0337
BFGS:   60 16:57:06       -6.218939        0.0310
BFGS:   61 16:57:06       -6.219063        0.0188
BFGS:   62 16:57:06       -6.219115        0.0087
BFGS:   63 16:57:06       -6.219127        0.0031
BFGS:   64 16:57:06       -6.219128        0.0004
BFGS:   65 16:57:06       -6.219128        0.0001
BFGS:   66 16:57:06       -6.219128        0.0000
BFGS:   67 16:57:06       -6.219128        0.0000
BFGS:   68 16:57:06       -6.219128        0.0000
BFGS:   69 16:57:06       -6.219128        0.0000
Minimization converged after 69 steps.
Maximum force component: 9.508174470415119e-10 eV/Angstrom
Maximum stress component: 3.971400541331072e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['P', 'P', 'P', 'P']
basis =  [[1.00273112e-35 2.50000000e-01 5.00000000e-01]
 [2.93402472e-35 7.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 1.00000000e+00]
 [5.00000000e-01 2.50000000e-01 1.98887573e-11]]
cellpar =  Cell([[3.2460970436683567, -2.3290250107084797e-35, 0.0], [-4.405203519435833e-35, 6.239823963476551, 0.0], [0.0, 0.0, 5.6224050065494895]])
forces =  [[ 0.00000000e+00  0.00000000e+00  9.50817447e-10]
 [ 0.00000000e+00  0.00000000e+00 -9.50817447e-10]
 [ 0.00000000e+00  0.00000000e+00  9.50817447e-10]
 [ 0.00000000e+00  0.00000000e+00 -9.50817447e-10]]
stress =  [-3.97140054e-11  7.06361179e-12 -1.00266150e-12  0.00000000e+00
  0.00000000e+00 -4.64638435e-46]
energy per atom =  -1.5547819898219395
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI4_74_e, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.