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:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 14:51:28       -4.692076        3.7972
BFGS:    1 14:51:28       -5.227597        3.5909
BFGS:    2 14:51:28       -5.706758        3.5955
BFGS:    3 14:51:28       -6.112112        3.7036
BFGS:    4 14:51:28       -6.474173        3.4111
BFGS:    5 14:51:28       -6.790907        2.3765
BFGS:    6 14:51:28       -7.058664        1.9610
BFGS:    7 14:51:28       -7.221394        1.1847
BFGS:    8 14:51:28       -7.265964        1.2231
BFGS:    9 14:51:28       -7.280777        0.9548
BFGS:   10 14:51:28       -7.304694        0.3306
BFGS:   11 14:51:28       -7.309051        0.1388
BFGS:   12 14:51:28       -7.309818        0.0086
BFGS:   13 14:51:28       -7.309820        0.0008
BFGS:   14 14:51:28       -7.309820        0.0000
BFGS:   15 14:51:28       -7.309820        0.0000
BFGS:   16 14:51:28       -7.309820        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.5918815401679676e-33 eV/Angstrom
Maximum stress component: 7.084834183260357e-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([[2.523340946007853, 1.5695801824532324e-17, -1.857097265288903e-36], [-1.2616704730039265, 2.185277361652258, -8.431932461059438e-36], [1.2478278780114038e-35, -1.3420937867570123e-35, 4.381182594590087]])
forces =  [[-1.29594077e-33 -2.24463526e-33  1.05685069e-68]
 [ 2.59188154e-33  1.61221412e-50 -1.90754092e-69]]
stress =  [ 3.67682685e-11  3.67682685e-11  7.08483418e-11 -6.89564768e-45
 -2.58544556e-45 -5.92213883e-28]
energy per atom =  -3.6549098641975797
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0