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 17:28:10        5.273425         9.551400
BFGS:    1 17:28:10        3.828861         8.451840
BFGS:    2 17:28:10        2.454620         7.388451
BFGS:    3 17:28:10        1.286535         6.604399
BFGS:    4 17:28:10        0.292231         6.023336
BFGS:    5 17:28:10       -0.559408         5.501583
BFGS:    6 17:28:10       -1.294213         5.028909
BFGS:    7 17:28:11       -1.931055         4.594308
BFGS:    8 17:28:11       -2.484797         4.191863
BFGS:    9 17:28:11       -2.967462         3.816537
BFGS:   10 17:28:11       -3.388780         3.464006
BFGS:   11 17:28:11       -3.756634         3.131096
BFGS:   12 17:28:11       -4.077506         2.819354
BFGS:   13 17:28:11       -4.356648         2.527814
BFGS:   14 17:28:11       -4.598440         2.254980
BFGS:   15 17:28:11       -4.806602         1.999715
BFGS:   16 17:28:11       -4.984334         1.761005
BFGS:   17 17:28:11       -5.134405         1.537432
BFGS:   18 17:28:11       -5.259371         1.329880
BFGS:   19 17:28:12       -5.361866         1.137992
BFGS:   20 17:28:12       -5.444316         0.960359
BFGS:   21 17:28:12       -5.508922         0.795751
BFGS:   22 17:28:12       -5.557726         0.643161
BFGS:   23 17:28:12       -5.592681         0.501858
BFGS:   24 17:28:12       -5.615781         0.371572
BFGS:   25 17:28:12       -5.629330         0.366415
BFGS:   26 17:28:12       -5.636783         0.459427
BFGS:   27 17:28:12       -5.642536         0.509997
BFGS:   28 17:28:12       -5.655131         0.581657
BFGS:   29 17:28:12       -5.670691         0.647388
BFGS:   30 17:28:12       -5.688679         0.709317
BFGS:   31 17:28:13       -5.708495         0.768415
BFGS:   32 17:28:13       -5.729655         0.824907
BFGS:   33 17:28:13       -5.751811         0.878529
BFGS:   34 17:28:13       -5.774735         0.928729
BFGS:   35 17:28:13       -5.798269         0.974710
BFGS:   36 17:28:13       -5.822286         1.015497
BFGS:   37 17:28:13       -5.846656         1.049927
BFGS:   38 17:28:13       -5.871231         1.076645
BFGS:   39 17:28:13       -5.895837         1.094075
BFGS:   40 17:28:13       -5.920265         1.100379
BFGS:   41 17:28:13       -5.944262         1.093389
BFGS:   42 17:28:13       -5.967539         1.070499
BFGS:   43 17:28:14       -5.989766         1.028435
BFGS:   44 17:28:14       -6.010604         0.962825
BFGS:   45 17:28:14       -6.029531         0.868639
BFGS:   46 17:28:14       -6.045993         0.743146
BFGS:   47 17:28:14       -6.061099         0.580525
BFGS:   48 17:28:14       -6.078961         0.470807
BFGS:   49 17:28:14       -6.110863         0.409258
BFGS:   50 17:28:14       -6.146353         0.332939
BFGS:   51 17:28:14       -6.174737         0.262776
BFGS:   52 17:28:14       -6.195222         0.198214
BFGS:   53 17:28:15       -6.209001         0.143656
BFGS:   54 17:28:15       -6.216258         0.079215
BFGS:   55 17:28:15       -6.217676         0.076064
BFGS:   56 17:28:15       -6.217907         0.067881
BFGS:   57 17:28:15       -6.218285         0.063136
BFGS:   58 17:28:15       -6.218492         0.058084
BFGS:   59 17:28:15       -6.218772         0.033657
BFGS:   60 17:28:15       -6.218939         0.031025
BFGS:   61 17:28:15       -6.219063         0.018816
BFGS:   62 17:28:15       -6.219115         0.008732
BFGS:   63 17:28:16       -6.219127         0.003136
BFGS:   64 17:28:16       -6.219128         0.000378
BFGS:   65 17:28:16       -6.219128         0.000051
BFGS:   66 17:28:16       -6.219128         0.000008
BFGS:   67 17:28:16       -6.219128         0.000001
BFGS:   68 17:28:16       -6.219128         0.000000
BFGS:   69 17:28:16       -6.219128         0.000000
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.