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:
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
==== 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 15:05:58       -8.791403        1.0460
BFGS:    1 15:05:58       -8.825510        0.8483
BFGS:    2 15:05:58       -8.877288        0.2006
BFGS:    3 15:05:58       -8.877905        0.1754
BFGS:    4 15:05:59       -8.880051        0.0070
BFGS:    5 15:05:59       -8.880055        0.0011
BFGS:    6 15:05:59       -8.880055        0.0000
BFGS:    7 15:05:59       -8.880055        0.0000
Minimization converged after 7 steps.
Maximum force component: 2.3624913546466923e-32 eV/Angstrom
Maximum stress component: 3.2235062164687294e-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([[2.486504683590752, 7.256067858964783e-18, 6.030716676118867e-38], [-1.243252341795376, 2.1533762226185793, 1.8829374624179574e-37], [2.9914206983712746e-37, 5.5652290345281886e-36, 4.0831453744084545]])
forces =  [[ 2.36249135e-32 -5.52966900e-33  1.20413952e-71]
 [-3.19255588e-33  5.52966900e-33  4.83520752e-70]]
stress =  [-1.59499078e-11 -1.59499078e-11 -3.22350622e-11 -2.33643903e-34
  4.04683112e-34 -4.53071747e-28]
energy per atom =  -4.44002747022807
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0