element(s):
['Cr']
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:
['3.0849', '1.6535058']
model name:
Sim_LAMMPS_ADP_HowellsMishin_2018_Cr__SM_884076133432_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:52:14       -5.468233        2.7391
BFGS:    1 14:52:14       -5.798397        3.2483
BFGS:    2 14:52:14       -6.258228        3.6017
BFGS:    3 14:52:14       -6.775733        4.2981
BFGS:    4 14:52:14       -7.357827        3.7965
BFGS:    5 14:52:14       -7.779471        2.5447
BFGS:    6 14:52:14       -7.974667        0.7641
BFGS:    7 14:52:14       -7.983863        0.3019
BFGS:    8 14:52:14       -7.986662        0.2210
BFGS:    9 14:52:14       -8.002050        0.6413
BFGS:   10 14:52:14       -8.037139        0.4782
BFGS:   11 14:52:14       -8.028215        0.8840
BFGS:   12 14:52:14       -8.041997        0.0778
BFGS:   13 14:52:14       -8.042231        0.0646
BFGS:   14 14:52:14       -8.042650        0.0475
BFGS:   15 14:52:14       -8.042760        0.0298
BFGS:   16 14:52:14       -8.042780        0.0035
BFGS:   17 14:52:14       -8.042780        0.0002
BFGS:   18 14:52:14       -8.042780        0.0000
BFGS:   19 14:52:14       -8.042780        0.0000
BFGS:   20 14:52:14       -8.042780        0.0000
Minimization converged after 20 steps.
Maximum force component: 6.687696615283744e-32 eV/Angstrom
Maximum stress component: 5.5965962090257564e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.6675285764944565, 3.538171064225902e-17, -9.553200938565224e-36], [-1.3337642882472283, 2.310147512565139, -1.1066692364951743e-35], [-3.115833149508358e-35, -7.890466872175878e-35, 4.0692780616841935]])
forces =  [[-5.12074783e-67 -1.29676684e-66  6.68769662e-32]
 [ 5.12074783e-67  1.29676684e-66 -6.68769662e-32]]
stress =  [ 1.10069345e-11  1.10069345e-11  5.59659621e-11  1.96677482e-33
  3.78505990e-34 -2.54370594e-27]
energy per atom =  -4.021390020152389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0