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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:11:43      -52.976857       23.0986
BFGS:    1 17:11:43      -56.093899       24.3302
BFGS:    2 17:11:43      -59.306602       25.6232
BFGS:    3 17:11:43      -62.239531       26.9862
BFGS:    4 17:11:43      -65.234856       27.7756
BFGS:    5 17:11:43      -68.215686       28.2756
BFGS:    6 17:11:43      -71.146097       28.4999
BFGS:    7 17:11:43      -74.011853       28.2388
BFGS:    8 17:11:43      -77.024765       27.5109
BFGS:    9 17:11:43      -80.090735       26.3660
BFGS:   10 17:11:43      -82.558268       27.9003
BFGS:   11 17:11:43      -84.920116       29.5883
BFGS:   12 17:11:43      -87.316015       30.9541
BFGS:   13 17:11:43      -89.768741       32.0563
BFGS:   14 17:11:43      -92.265471       32.7035
BFGS:   15 17:11:43      -94.731632       33.2636
BFGS:   16 17:11:43      -97.194344       33.5359
BFGS:   17 17:11:44      -99.711788       33.7585
BFGS:   18 17:11:44     -102.210686       33.6445
BFGS:   19 17:11:44     -104.663696       33.2391
BFGS:   20 17:11:44     -107.047775       32.4997
BFGS:   21 17:11:44     -109.355319       31.5102
BFGS:   22 17:11:44     -111.480987       29.4615
BFGS:   23 17:11:45     -113.590295       27.9690
BFGS:   24 17:11:45     -115.240832       25.7069
BFGS:   25 17:11:45     -117.154527       26.7073
BFGS:   26 17:11:45     -118.363446       31.4644
BFGS:   27 17:11:45     -119.618832       38.9292
BFGS:   28 17:11:45     -120.834657       44.5632
BFGS:   29 17:11:45     -122.425220       50.3700
BFGS:   30 17:11:45     -124.576514       51.2061
BFGS:   31 17:11:45     -128.165467       46.8690
BFGS:   32 17:11:45     -132.806653       32.3942
BFGS:   33 17:11:45     -135.589051        9.8216
BFGS:   34 17:11:45     -136.011803        2.1464
BFGS:   35 17:11:45     -136.038425        0.2772
BFGS:   36 17:11:45     -136.038776        0.0039
BFGS:   37 17:11:45     -136.038776        0.0011
BFGS:   38 17:11:45     -136.038777        0.0003
BFGS:   39 17:11:45     -136.038777        0.0000
BFGS:   40 17:11:45     -136.038777        0.0000
BFGS:   41 17:11:45     -136.038777        0.0000
Minimization converged after 41 steps.
Maximum force component: 6.318044838552521e-09 eV/Angstrom
Maximum stress component: 2.803260537441638e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['P', 'P', 'P', 'P']
basis =  [[1.14954076e-32 6.01608495e-33 1.42368587e-01]
 [0.00000000e+00 1.60045605e-16 8.57631413e-01]
 [5.00000000e-01 5.00000000e-01 6.42368587e-01]
 [5.00000000e-01 5.00000000e-01 3.57631413e-01]]
cellpar =  Cell([[2.0488327124714263, -5.202296371147737e-35, 7.708945124697128e-32], [1.0536368184358356e-33, 2.048832712471426, -5.51641002955552e-17], [1.072095426420904e-32, -5.288424151610415e-16, 7.110444483487958]])
forces =  [[-1.01015252e-31  4.69907585e-25 -6.31804484e-09]
 [ 1.51522878e-31 -4.69907244e-25  6.31804484e-09]
 [-3.78807194e-32  4.69907244e-25 -6.31804484e-09]
 [ 9.52619346e-42 -4.69907206e-25  6.31804484e-09]]
stress =  [-2.80326054e-10 -2.80326054e-10  2.75735159e-10 -1.14502637e-25
 -6.76873009e-33  1.50296000e-48]
energy per atom =  -34.00969412537302
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0