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:
SNAP_LiHuChen_2018_NiMo__MO_468686727341_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 15:05:37      -11.466560        1.0287
BFGS:    1 15:05:37      -11.496583        0.8251
BFGS:    2 15:05:37      -11.541532        0.3503
BFGS:    3 15:05:37      -11.543110        0.2823
BFGS:    4 15:05:37      -11.546673        0.0143
BFGS:    5 15:05:37      -11.546684        0.0010
BFGS:    6 15:05:37      -11.546684        0.0000
BFGS:    7 15:05:37      -11.546684        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.6933932941024408e-32 eV/Angstrom
Maximum stress component: 1.1140294702024814e-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([[2.4867603126100972, -5.608095105153165e-18, -1.0195783636935032e-42], [-1.2433801563050486, 2.1535976038432754, -4.039743359969662e-42], [2.1433644330428997e-37, 5.022620341937694e-37, 4.121531569327522]])
forces =  [[-1.27715364e-32  4.42418999e-33 -1.69339329e-32]
 [ 1.27715364e-32 -4.42418999e-33  1.69339329e-32]]
stress =  [-4.22678050e-12 -4.22678050e-12  1.11402947e-10  2.31444049e-34
 -2.06673404e-47  1.27067652e-27]
energy per atom =  -2.8416789643621336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0