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 13:54:30       -5.468233         2.739091
BFGS:    1 13:54:30       -5.798397         3.248263
BFGS:    2 13:54:30       -6.258228         3.601717
BFGS:    3 13:54:30       -6.775733         4.298055
BFGS:    4 13:54:30       -7.357827         3.796501
BFGS:    5 13:54:30       -7.779471         2.544661
BFGS:    6 13:54:30       -7.974667         0.764112
BFGS:    7 13:54:30       -7.983863         0.301875
BFGS:    8 13:54:30       -7.986662         0.220996
BFGS:    9 13:54:30       -8.002050         0.641272
BFGS:   10 13:54:30       -8.037139         0.478237
BFGS:   11 13:54:30       -8.028215         0.883983
BFGS:   12 13:54:30       -8.041997         0.077812
BFGS:   13 13:54:30       -8.042231         0.064607
BFGS:   14 13:54:31       -8.042650         0.047464
BFGS:   15 13:54:31       -8.042760         0.029842
BFGS:   16 13:54:31       -8.042780         0.003464
BFGS:   17 13:54:31       -8.042780         0.000171
BFGS:   18 13:54:31       -8.042780         0.000002
BFGS:   19 13:54:31       -8.042780         0.000000
BFGS:   20 13:54:31       -8.042780         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.847476653056571e-32 eV/Angstrom
Maximum stress component: 5.596695603074682e-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([[2.6675285764944574, 5.3953025002635853e-17, 6.076335040029368e-36], [-1.3337642882472287, 2.3101475125651403, -1.9821638824148758e-35], [2.0865195707331987e-35, 1.064704284426549e-34, 4.069278061684194]])
forces =  [[-5.47997137e-33 -2.84747665e-32  1.94389487e-67]
 [ 2.73998569e-32  9.49158884e-33 -6.54357534e-69]]
stress =  [ 1.10074767e-11  1.10074767e-11  5.59669560e-11 -8.92106612e-46
 -5.34046821e-46  1.16457772e-27]
energy per atom =  -4.021390020152387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0