element(s):
['Ca']
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:
['3.8897', '1.6595367']
model name:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.8897, 0, 0], [-1.94485, 3.3685790131003, 0], [0, 0, 6.4551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:25       -2.701076         1.163690
BFGS:    1 15:39:25       -2.752625         0.993328
BFGS:    2 15:39:25       -2.822651         0.348690
BFGS:    3 15:39:25       -2.825105         0.300044
BFGS:    4 15:39:25       -2.836481         0.073952
BFGS:    5 15:39:25       -2.836812         0.011392
BFGS:    6 15:39:25       -2.836819         0.000105
BFGS:    7 15:39:25       -2.836819         0.000001
BFGS:    8 15:39:25       -2.836819         0.000000
Minimization converged after 8 steps.
Maximum force component: 7.062781600200232e-33 eV/Angstrom
Maximum stress component: 4.7174513362910034e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.9698668070587484, -2.31666734610491e-17, -1.3465508903508969e-36], [-1.9849334035293742, 3.4380055045534923, -2.800392053507285e-36], [-2.2528041928705653e-36, -5.607256595815098e-35, 6.867432749206475]])
forces =  [[ 4.07769886e-33  7.06278160e-33 -8.51916970e-69]
 [-4.07769886e-33 -7.06278160e-33  8.51916970e-69]]
stress =  [-4.71745134e-11 -4.71745134e-11  3.98707948e-11 -4.35049056e-35
 -4.63045465e-46  9.58871945e-27]
energy per atom =  -1.0343229322587693
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0