element(s):
['Ti']
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:
['3.0022', '1.5915662']
model name:
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:12:28       -9.673538         0.847105
BFGS:    1 21:12:28       -9.698666         0.665095
BFGS:    2 21:12:28       -9.733363         0.135147
BFGS:    3 21:12:28       -9.734032         0.036133
BFGS:    4 21:12:28       -9.734071         0.037506
BFGS:    5 21:12:28       -9.734211         0.021551
BFGS:    6 21:12:28       -9.734230         0.006944
BFGS:    7 21:12:28       -9.734233         0.000638
BFGS:    8 21:12:28       -9.734233         0.000038
BFGS:    9 21:12:28       -9.734233         0.000002
BFGS:   10 21:12:28       -9.734233         0.000000
BFGS:   11 21:12:28       -9.734233         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.231326042009036e-33 eV/Angstrom
Maximum stress component: 1.0605769567124673e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.9219606362890858, 2.052594383997283e-17, -1.6114449626314013e-37], [-1.4609803181445429, 2.5304921398844913, 5.924022399837062e-37], [-4.711173444712026e-37, -3.8434350562651105e-35, 4.693398936370576]])
forces =  [[-7.25871201e-70 -5.92174933e-68  7.23132604e-33]
 [ 4.83914134e-70  3.94783289e-68 -4.82088403e-33]]
stress =  [ 1.06057696e-11  1.06057696e-11  5.34144109e-12  1.38377899e-33
 -5.76713242e-47  2.44215137e-27]
energy per atom =  -4.867116465273791
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0