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_KimSeolJi_2017_PtNi__MO_020840179467_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 15:04:38      -10.305556        6.2759
BFGS:    1 15:04:38      -10.894688        4.1461
BFGS:    2 15:04:38      -11.253313        2.4561
BFGS:    3 15:04:38      -11.435036        1.1261
BFGS:    4 15:04:38      -11.483214        0.2937
BFGS:    5 15:04:38      -11.485343        0.1158
BFGS:    6 15:04:38      -11.485694        0.0708
BFGS:    7 15:04:38      -11.486154        0.0542
BFGS:    8 15:04:38      -11.486309        0.0204
BFGS:    9 15:04:38      -11.486332        0.0052
BFGS:   10 15:04:38      -11.486334        0.0005
BFGS:   11 15:04:38      -11.486334        0.0000
BFGS:   12 15:04:38      -11.486334        0.0000
BFGS:   13 15:04:38      -11.486334        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.690480435915174e-32 eV/Angstrom
Maximum stress component: 6.004203869726422e-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([[2.76376009238749, 1.3829219623480824e-17, -1.1834599338131784e-36], [-1.381880046193745, 2.3934864499731927, -6.178060803015245e-35], [-7.030718651896285e-35, -2.6329904412901644e-34, 4.551513444252507]])
forces =  [[ 3.69048044e-32 -2.45849985e-32  6.24862476e-67]
 [-3.69048044e-32  2.45849985e-32 -6.24862476e-67]]
stress =  [-3.05671966e-10 -3.05671966e-10 -6.00420387e-10 -2.26289109e-33
  7.19565853e-45  1.48714550e-26]
energy per atom =  -5.743166763213447
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0