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:
Morse_QuinticSmoothed_Jelinek_1972_Ar__MO_908645784389_002
==== 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 16:59:01       -0.146132         0.101823
BFGS:    1 16:59:02       -0.146564         0.101842
BFGS:    2 16:59:02       -0.161117         0.097048
BFGS:    3 16:59:02       -0.174176         0.079551
BFGS:    4 16:59:02       -0.183850         0.049557
BFGS:    5 16:59:02       -0.187493         0.006108
BFGS:    6 16:59:02       -0.187508         0.002069
BFGS:    7 16:59:02       -0.187509         0.002257
BFGS:    8 16:59:02       -0.187509         0.002300
BFGS:    9 16:59:02       -0.187511         0.002409
BFGS:   10 16:59:02       -0.187512         0.001978
BFGS:   11 16:59:02       -0.187514         0.000882
BFGS:   12 16:59:02       -0.187514         0.000239
BFGS:   13 16:59:02       -0.187514         0.000034
BFGS:   14 16:59:02       -0.187514         0.000004
BFGS:   15 16:59:02       -0.187514         0.000000
BFGS:   16 16:59:02       -0.187514         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.43843992477212e-33 eV/Angstrom
Maximum stress component: 9.375085868139317e-11 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([[3.714476821695499, 9.959140128851323e-17, -2.1906721633155125e-38], [-1.8572384108477495, 3.216831289356782, -6.141816637116087e-38], [-7.363887706475578e-38, -5.2578198366058315e-36, 6.063206804849721]])
forces =  [[ 3.57691107e-33 -2.89118280e-33 -3.11394975e-33]
 [-6.43843992e-33  4.54328725e-33  3.11394975e-33]]
stress =  [ 9.37508587e-11  9.37508587e-11  8.14931201e-11  1.64572994e-36
 -2.85048787e-36 -6.33252727e-26]
energy per atom =  -0.09375721665563463
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0