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:
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_002
==== 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 14:08:42       -8.766375         1.086112
BFGS:    1 14:08:42       -8.801461         0.884100
BFGS:    2 14:08:42       -8.855603         0.195636
BFGS:    3 14:08:42       -8.856505         0.202194
BFGS:    4 14:08:42       -8.857990         0.128781
BFGS:    5 14:08:42       -8.858557         0.036755
BFGS:    6 14:08:42       -8.858629         0.005401
BFGS:    7 14:08:42       -8.858631         0.000293
BFGS:    8 14:08:42       -8.858631         0.000022
BFGS:    9 14:08:42       -8.858631         0.000001
BFGS:   10 14:08:42       -8.858631         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.874033263499401e-33 eV/Angstrom
Maximum stress component: 5.550303870188881e-10 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([[2.484392432389203, -4.129695282909737e-18, -4.89947632577542e-37], [-1.2421962161946014, 2.1515469594188623, -1.4910902251303648e-37], [-5.948069356613895e-37, -5.311914350560181e-35, 4.091423391407808]])
forces =  [[ 1.87403326e-33 -1.03593218e-33 -1.79834568e-70]
 [-1.87403326e-33  1.03593218e-33  1.79834568e-70]]
stress =  [ 5.55030387e-10  5.55030387e-10  3.15564875e-10 -9.94456635e-45
 -4.04207701e-34  2.60251668e-26]
energy per atom =  -4.42931530453028
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0