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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:26:20      -52.905318        21.702941
BFGS:    1 17:26:20      -55.785021        23.001732
BFGS:    2 17:26:20      -58.789026        24.284404
BFGS:    3 17:26:20      -61.749512        25.620468
BFGS:    4 17:26:21      -64.546641        27.063380
BFGS:    5 17:26:21      -67.186966        28.332994
BFGS:    6 17:26:21      -69.705812        29.448482
BFGS:    7 17:26:21      -72.163257        30.459853
BFGS:    8 17:26:22      -74.583128        31.095548
BFGS:    9 17:26:22      -77.036686        31.337541
BFGS:   10 17:26:22      -79.437190        31.174727
BFGS:   11 17:26:22      -81.647911        34.874999
BFGS:   12 17:26:23      -83.679252        38.266320
BFGS:   13 17:26:23      -85.586628        41.411877
BFGS:   14 17:26:23      -87.421846        44.287642
BFGS:   15 17:26:24      -89.228195        46.857254
BFGS:   16 17:26:24      -91.060132        49.002664
BFGS:   17 17:26:24      -92.905470        50.592831
BFGS:   18 17:26:25      -94.734124        51.421371
BFGS:   19 17:26:25      -96.476074        51.370887
BFGS:   20 17:26:26      -98.009841        50.485340
BFGS:   21 17:26:26      -99.350063        48.952508
BFGS:   22 17:26:26     -100.553057        47.201504
BFGS:   23 17:26:27     -101.755837        45.332154
BFGS:   24 17:26:27     -102.947940        46.087856
BFGS:   25 17:26:28     -104.151647        49.508037
BFGS:   26 17:26:28     -105.340155        53.343690
BFGS:   27 17:26:29     -106.422981        58.471319
BFGS:   28 17:26:29     -107.661518        62.392164
BFGS:   29 17:26:30     -108.864165        66.863324
BFGS:   30 17:26:31     -110.084647        71.338855
BFGS:   31 17:26:31     -111.336602        75.603669
BFGS:   32 17:26:32     -112.641050        79.355278
BFGS:   33 17:26:32     -114.047621        81.908159
BFGS:   34 17:26:33     -115.680886        82.232406
BFGS:   35 17:26:33     -117.911811        77.605822
BFGS:   36 17:26:34     -120.965568        65.524134
BFGS:   37 17:26:34     -124.513762        50.197966
BFGS:   38 17:26:35     -127.425585        36.823530
BFGS:   39 17:26:35     -128.947055        26.892546
BFGS:   40 17:26:36     -129.567220        20.161275
BFGS:   41 17:26:36     -129.692610        15.272232
BFGS:   42 17:26:37     -129.701973        14.709296
BFGS:   43 17:26:38     -129.706914        14.138635
BFGS:   44 17:26:38     -129.707557        14.206179
BFGS:   45 17:26:39     -129.713066        15.542477
BFGS:   46 17:26:39     -129.718546        16.288478
BFGS:   47 17:26:40     -129.742262        18.286851
BFGS:   48 17:26:40     -129.794459        20.839235
BFGS:   49 17:26:41     -129.935411        24.618182
BFGS:   50 17:26:41     -130.257544        28.248605
BFGS:   51 17:26:42     -130.878160        27.625544
BFGS:   52 17:26:42     -131.601197        18.655047
BFGS:   53 17:26:43     -131.950447         8.420693
BFGS:   54 17:26:43     -132.047518         2.687755
BFGS:   55 17:26:44     -132.070962         0.301497
BFGS:   56 17:26:44     -132.073368         0.243050
BFGS:   57 17:26:45     -132.073737         0.066346
BFGS:   58 17:26:46     -132.073744         0.004205
BFGS:   59 17:26:46     -132.073744         0.000083
BFGS:   60 17:26:47     -132.073744         0.000002
BFGS:   61 17:26:47     -132.073744         0.000000
BFGS:   62 17:26:48     -132.073744         0.000000
Minimization converged after 62 steps.
Maximum force component: 4.320381404613854e-11 eV/Angstrom
Maximum stress component: 4.2839614956817946e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['P', 'P', 'P', 'P']
basis =  [[7.37147702e-34 2.50000000e-01 5.00000000e-01]
 [1.45949379e-33 7.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 9.20074989e-14]
 [5.00000000e-01 2.50000000e-01 1.00000000e+00]]
cellpar =  Cell([[3.579994293689148, 3.985513720773243e-36, 0.0], [5.297527674488239e-34, 4.046385794704674, 0.0], [0.0, 0.0, 2.0669106691456136]])
forces =  [[ 0.0000000e+00  0.0000000e+00 -4.3203814e-11]
 [ 0.0000000e+00  0.0000000e+00  4.3203814e-11]
 [ 0.0000000e+00  0.0000000e+00 -4.3203814e-11]
 [ 0.0000000e+00  0.0000000e+00  4.3203814e-11]]
stress =  [-4.70477433e-11  8.17510497e-11 -4.28396150e-10  0.00000000e+00
  0.00000000e+00  1.98326591e-44]
energy per atom =  -33.018436005556545
===============================================
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.