element(s):
['Ni']
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:
['2.582', '1.5943455']
model name:
EAM_Dynamo_MishinFarkasMehl_1999_Ni__MO_400591584784_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:04:57       -8.741164         1.319663
BFGS:    1 14:04:57       -8.790254         1.026908
BFGS:    2 14:04:57       -8.856823         0.160867
BFGS:    3 14:04:57       -8.858836         0.053553
BFGS:    4 14:04:57       -8.858881         0.048318
BFGS:    5 14:04:57       -8.859120         0.006207
BFGS:    6 14:04:57       -8.859123         0.000809
BFGS:    7 14:04:57       -8.859123         0.000013
BFGS:    8 14:04:57       -8.859123         0.000000
BFGS:    9 14:04:57       -8.859123         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.303244517429522e-32 eV/Angstrom
Maximum stress component: 6.998340761985691e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.483148531924905, -6.520824001629959e-18, 1.0130516683294643e-39], [-1.2415742659624525, 2.150469710017002, 1.9718370122805073e-38], [-7.416421614667984e-38, -7.606481736780355e-37, 4.019865499411336]])
forces =  [[ 8.28944153e-33 -5.52220535e-33 -3.30324452e-32]
 [-8.28944153e-33  5.52220535e-33  3.30324452e-32]]
stress =  [ 6.71203135e-11  6.71203135e-11  6.99834076e-11  2.37642634e-34
  1.23482735e-33 -2.02833297e-26]
energy per atom =  -4.429561462311314
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0