element(s):
['Ar']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1181', '1.6316262']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.1181, 0, 0], [-2.05905, 3.5663792153247, 0], [0, 0, 6.7192]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:12       -0.005718        0.0062
BFGS:    1 14:46:12       -0.005720        0.0062
BFGS:    2 14:46:12       -0.006718        0.0073
BFGS:    3 14:46:12       -0.007914        0.0089
BFGS:    4 14:46:12       -0.009364        0.0107
BFGS:    5 14:46:12       -0.011114        0.0129
BFGS:    6 14:46:12       -0.013231        0.0156
BFGS:    7 14:46:12       -0.015798        0.0190
BFGS:    8 14:46:12       -0.018922        0.0231
BFGS:    9 14:46:12       -0.022765        0.0286
BFGS:   10 14:46:12       -0.027490        0.0352
BFGS:   11 14:46:12       -0.033335        0.0437
BFGS:   12 14:46:12       -0.040585        0.0543
BFGS:   13 14:46:12       -0.049595        0.0675
BFGS:   14 14:46:12       -0.060838        0.0844
BFGS:   15 14:46:12       -0.074784        0.1042
BFGS:   16 14:46:12       -0.091935        0.1274
BFGS:   17 14:46:12       -0.112754        0.1529
BFGS:   18 14:46:12       -0.137306        0.1763
BFGS:   19 14:46:12       -0.164568        0.1875
BFGS:   20 14:46:12       -0.190726        0.1631
BFGS:   21 14:46:12       -0.205445        0.0412
BFGS:   22 14:46:12       -0.205494        0.0260
BFGS:   23 14:46:13       -0.205549        0.0249
BFGS:   24 14:46:13       -0.205566        0.0251
BFGS:   25 14:46:13       -0.205683        0.0168
BFGS:   26 14:46:13       -0.205719        0.0066
BFGS:   27 14:46:13       -0.205727        0.0013
BFGS:   28 14:46:13       -0.205727        0.0002
BFGS:   29 14:46:13       -0.205727        0.0000
BFGS:   30 14:46:13       -0.205727        0.0000
BFGS:   31 14:46:13       -0.205727        0.0000
Minimization converged after 31 steps.
Maximum force component: 1.7292469155032104e-33 eV/Angstrom
Maximum stress component: 2.2671243435630221e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.0618390572520373, 2.738418194119446e-16, -8.33622889690217e-37], [-1.0309195286260187, 1.78560500209522, -3.562494646816371e-36], [-5.010179524305834e-36, -5.732372540418887e-36, 3.367036247624385]])
forces =  [[ 2.57313461e-69  2.94403945e-69 -1.72924692e-33]
 [-2.57313461e-69 -2.94403945e-69  1.72924692e-33]]
stress =  [-2.26712434e-10 -2.26712434e-10 -1.16637416e-10 -2.49161072e-45
 -1.02387746e-45  9.23555410e-26]
energy per atom =  -0.1028635103382363
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0