[QE-users] under pressure PbTaSe2 vc-relax calculation
Amadeus
760158264 at qq.com
Mon May 24 11:54:16 CEST 2021
Dear QE developer
I did the structural relaxation calculation for Pb at pressure of 3kbar， this is relax.in
&CONTROL
prefix='PbTaSe2',
calculation='vc-relax', pseudo_dir='../../', outdir='./tmp', verbosity='high',
tprnfor=.true., tstress=.true., forc_conv_thr=1.0d-4, nstep=100,
/
&SYSTEM
ibrav= 0, nat= 4, ntyp= 3,
occupations = 'smearing', smearing = 'gauss', degauss = 1.0d-2,
ecutwfc = 50, ecutrho = 500,
/
&ELECTRONS
conv_thr = 1.0d-8
mixing_beta = 0.7d0
/
&IONS
/
&CELL
cell_dynamics = "bfgs"
press = 2.70000e+00
press_conv_thr =0.1
/
ATOMIC_SPECIES
Ta 180.9479 Ta.UPF
Pb 207.2 Pb.UPF
Se 78.96 Se.UPF
CELL_PARAMETERS (angstrom)
3.4834700000 0.0000000000 0.0000000000
-1.7417350000 3.0167735133 0.0000000000
0.0000000000 0.0000000000 9.4755300000
ATOMIC_POSITIONS (crystal)
Pb 0.0000000000 0.0000000000 0.0000000000
Se 0.0000000000 0.0000000000 0.3246710000
Ta 0.3333330000 0.6666670000 0.5000000000
Se 0.0000000000 0.0000000000 0.6753290000
K_POINTS {automatic}
15 15 5 0 0 0
In relax.in, press=3.0kbar. But after pw.x is done, relax.out show that total stress (Ry/bohr**3) (kbar) P=-0.83, and This is inconsistent with press=3. this is part of relax.out
[rencong at mu01 phonon]$ grep 'Computing stress (Cartesian axis) and pressure' -A 15 relax.out
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -18.52
-0.00012920 -0.00000000 0.00000000 -19.01 -0.00 0.00
-0.00000000 -0.00012920 0.00000000 -0.00 -19.01 0.00
-0.00000000 0.00000000 -0.00011929 -0.00 0.00 -17.55
kinetic stress (kbar) 26166.32 0.00 -0.00
0.00 26166.32 -0.00
-0.00 -0.00 26099.04
local stress (kbar)-102748.01 0.03 0.00
0.03-102747.97 -0.00
0.00 -0.00 87902.19
nonloc. stress (kbar) 7590.36 0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -6.59
-0.00005175 0.00000000 -0.00000000 -7.61 0.00 -0.00
0.00000000 -0.00005175 -0.00000000 0.00 -7.61 -0.00
-0.00000000 0.00000000 -0.00003097 -0.00 0.00 -4.56
kinetic stress (kbar) 26465.48 -0.00 0.00
-0.00 26465.48 -0.00
0.00 -0.00 26398.05
local stress (kbar)-104097.07 0.03 -0.00
0.03-104097.04 -0.00
-0.00 -0.00 89787.95
nonloc. stress (kbar) 7677.99 0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.36
0.00000966 -0.00000000 -0.00000000 1.42 -0.00 -0.00
-0.00000000 0.00000966 -0.00000000 -0.00 1.42 -0.00
0.00000000 0.00000000 0.00002879 0.00 0.00 4.24
kinetic stress (kbar) 26730.55 -0.00 0.00
-0.00 26730.55 -0.00
0.00 -0.00 26659.83
local stress (kbar)-104809.03 0.03 0.00
0.03-104809.00 0.00
0.00 0.00 90913.61
nonloc. stress (kbar) 7754.96 -0.00 -0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 4.35
0.00002638 -0.00000000 -0.00000000 3.88 -0.00 -0.00
-0.00000000 0.00002638 0.00000000 -0.00 3.88 0.00
0.00000000 -0.00000000 0.00003588 0.00 -0.00 5.28
kinetic stress (kbar) 26827.21 -0.00 -0.00
-0.00 26827.21 -0.00
-0.00 -0.00 26752.62
local stress (kbar)-104595.93 0.03 -0.00
0.03-104595.90 0.00
-0.00 0.00 90784.35
nonloc. stress (kbar) 7782.88 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 4.20
0.00003020 -0.00000000 0.00000000 4.44 -0.00 0.00
-0.00000000 0.00003020 -0.00000000 -0.00 4.44 -0.00
0.00000000 -0.00000000 0.00002534 0.00 -0.00 3.73
kinetic stress (kbar) 26892.30 -0.00 0.00
-0.00 26892.30 -0.00
0.00 -0.00 26812.44
local stress (kbar)-103912.31 0.03 -0.00
0.03-103912.27 0.00
-0.00 0.00 90077.86
nonloc. stress (kbar) 7801.49 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 3.43
0.00002586 -0.00000000 0.00000000 3.80 -0.00 0.00
-0.00000000 0.00002586 0.00000000 -0.00 3.80 0.00
0.00000000 0.00000000 0.00001815 0.00 0.00 2.67
kinetic stress (kbar) 26889.59 -0.00 0.00
-0.00 26889.59 -0.00
0.00 0.00 26808.35
local stress (kbar)-103553.25 0.03 0.00
0.03-103553.21 -0.00
0.00 -0.00 89660.57
nonloc. stress (kbar) 7800.75 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.86
0.00002148 -0.00000000 0.00000000 3.16 -0.00 0.00
-0.00000000 0.00002148 0.00000000 -0.00 3.16 0.00
0.00000000 -0.00000000 0.00001546 0.00 -0.00 2.27
kinetic stress (kbar) 26878.27 -0.00 -0.00
-0.00 26878.27 -0.00
-0.00 -0.00 26797.15
local stress (kbar)-103430.78 0.03 -0.00
0.03-103430.75 0.00
-0.00 0.00 89504.12
nonloc. stress (kbar) 7797.39 -0.00 -0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.84
0.00002049 -0.00000000 0.00000000 3.01 -0.00 0.00
-0.00000000 0.00002049 -0.00000000 -0.00 3.01 -0.00
0.00000000 0.00000000 0.00001691 0.00 0.00 2.49
kinetic stress (kbar) 26876.69 -0.00 -0.00
-0.00 26876.69 0.00
0.00 0.00 26795.80
local stress (kbar)-103375.92 0.03 0.00
0.03-103375.89 -0.00
0.00 -0.00 89436.81
nonloc. stress (kbar) 7796.95 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.93
0.00002030 -0.00000000 0.00000000 2.99 -0.00 0.00
-0.00000000 0.00002030 -0.00000000 -0.00 2.99 -0.00
-0.00000000 0.00000000 0.00001921 -0.00 0.00 2.83
kinetic stress (kbar) 26877.23 0.00 0.00
0.00 26877.23 -0.00
0.00 0.00 26796.57
local stress (kbar)-103340.53 0.03 0.00
0.03-103340.50 0.00
0.00 0.00 89394.48
nonloc. stress (kbar) 7797.15 0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.96
0.00002009 -0.00000000 0.00000000 2.96 -0.00 0.00
-0.00000000 0.00002009 -0.00000000 -0.00 2.96 -0.00
0.00000000 -0.00000000 0.00002028 0.00 -0.00 2.98
kinetic stress (kbar) 26879.49 0.00 0.00
0.00 26879.49 -0.00
0.00 -0.00 26798.86
local stress (kbar)-103299.75 0.03 0.00
0.03-103299.72 0.00
0.00 0.00 89348.84
nonloc. stress (kbar) 7797.79 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -0.83
-0.00000653 -0.00000000 -0.00000000 -0.96 -0.00 -0.00
0.00000000 -0.00000653 0.00000000 0.00 -0.96 0.00
0.00000000 0.00000000 -0.00000384 0.00 0.00 -0.56
kinetic stress (kbar) 26883.07 0.00 -0.00
0.00 26883.07 -0.00
-0.00 -0.00 26802.38
local stress (kbar)-103303.36 0.03 0.00
0.03-103303.33 0.00
0.00 0.00 89345.22
nonloc. stress (kbar) 7795.83 -0.00 0.00
[rencong at mu01 phonon]$ grep 'Computing stress (Cartesian axis) and pressure' -A 18 relax.out
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -18.52
-0.00012920 -0.00000000 0.00000000 -19.01 -0.00 0.00
-0.00000000 -0.00012920 0.00000000 -0.00 -19.01 0.00
-0.00000000 0.00000000 -0.00011929 -0.00 0.00 -17.55
kinetic stress (kbar) 26166.32 0.00 -0.00
0.00 26166.32 -0.00
-0.00 -0.00 26099.04
local stress (kbar)-102748.01 0.03 0.00
0.03-102747.97 -0.00
0.00 -0.00 87902.19
nonloc. stress (kbar) 7590.36 0.00 0.00
0.00 7590.36 0.00
0.00 0.00 7573.89
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -6.59
-0.00005175 0.00000000 -0.00000000 -7.61 0.00 -0.00
0.00000000 -0.00005175 -0.00000000 0.00 -7.61 -0.00
-0.00000000 0.00000000 -0.00003097 -0.00 0.00 -4.56
kinetic stress (kbar) 26465.48 -0.00 0.00
-0.00 26465.48 -0.00
0.00 -0.00 26398.05
local stress (kbar)-104097.07 0.03 -0.00
0.03-104097.04 -0.00
-0.00 -0.00 89787.95
nonloc. stress (kbar) 7677.99 0.00 0.00
-0.00 7677.99 -0.00
0.00 -0.00 7661.70
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.36
0.00000966 -0.00000000 -0.00000000 1.42 -0.00 -0.00
-0.00000000 0.00000966 -0.00000000 -0.00 1.42 -0.00
0.00000000 0.00000000 0.00002879 0.00 0.00 4.24
kinetic stress (kbar) 26730.55 -0.00 0.00
-0.00 26730.55 -0.00
0.00 -0.00 26659.83
local stress (kbar)-104809.03 0.03 0.00
0.03-104809.00 0.00
0.00 0.00 90913.61
nonloc. stress (kbar) 7754.96 -0.00 -0.00
-0.00 7754.96 -0.00
-0.00 -0.00 7739.30
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 4.35
0.00002638 -0.00000000 -0.00000000 3.88 -0.00 -0.00
-0.00000000 0.00002638 0.00000000 -0.00 3.88 0.00
0.00000000 -0.00000000 0.00003588 0.00 -0.00 5.28
kinetic stress (kbar) 26827.21 -0.00 -0.00
-0.00 26827.21 -0.00
-0.00 -0.00 26752.62
local stress (kbar)-104595.93 0.03 -0.00
0.03-104595.90 0.00
-0.00 0.00 90784.35
nonloc. stress (kbar) 7782.88 -0.00 0.00
-0.00 7782.88 -0.00
0.00 -0.00 7767.94
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 4.20
0.00003020 -0.00000000 0.00000000 4.44 -0.00 0.00
-0.00000000 0.00003020 -0.00000000 -0.00 4.44 -0.00
0.00000000 -0.00000000 0.00002534 0.00 -0.00 3.73
kinetic stress (kbar) 26892.30 -0.00 0.00
-0.00 26892.30 -0.00
0.00 -0.00 26812.44
local stress (kbar)-103912.31 0.03 -0.00
0.03-103912.27 0.00
-0.00 0.00 90077.86
nonloc. stress (kbar) 7801.49 -0.00 0.00
-0.00 7801.49 -0.00
0.00 -0.00 7787.58
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 3.43
0.00002586 -0.00000000 0.00000000 3.80 -0.00 0.00
-0.00000000 0.00002586 0.00000000 -0.00 3.80 0.00
0.00000000 0.00000000 0.00001815 0.00 0.00 2.67
kinetic stress (kbar) 26889.59 -0.00 0.00
-0.00 26889.59 -0.00
0.00 0.00 26808.35
local stress (kbar)-103553.25 0.03 0.00
0.03-103553.21 -0.00
0.00 -0.00 89660.57
nonloc. stress (kbar) 7800.75 -0.00 0.00
-0.00 7800.75 -0.00
0.00 -0.00 7787.19
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.86
0.00002148 -0.00000000 0.00000000 3.16 -0.00 0.00
-0.00000000 0.00002148 0.00000000 -0.00 3.16 0.00
0.00000000 -0.00000000 0.00001546 0.00 -0.00 2.27
kinetic stress (kbar) 26878.27 -0.00 -0.00
-0.00 26878.27 -0.00
-0.00 -0.00 26797.15
local stress (kbar)-103430.78 0.03 -0.00
0.03-103430.75 0.00
-0.00 0.00 89504.12
nonloc. stress (kbar) 7797.39 -0.00 -0.00
-0.00 7797.39 -0.00
-0.00 -0.00 7783.88
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.84
0.00002049 -0.00000000 0.00000000 3.01 -0.00 0.00
-0.00000000 0.00002049 -0.00000000 -0.00 3.01 -0.00
0.00000000 0.00000000 0.00001691 0.00 0.00 2.49
kinetic stress (kbar) 26876.69 -0.00 -0.00
-0.00 26876.69 0.00
0.00 0.00 26795.80
local stress (kbar)-103375.92 0.03 0.00
0.03-103375.89 -0.00
0.00 -0.00 89436.81
nonloc. stress (kbar) 7796.95 -0.00 0.00
-0.00 7796.95 -0.00
0.00 -0.00 7783.48
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.93
0.00002030 -0.00000000 0.00000000 2.99 -0.00 0.00
-0.00000000 0.00002030 -0.00000000 -0.00 2.99 -0.00
-0.00000000 0.00000000 0.00001921 -0.00 0.00 2.83
kinetic stress (kbar) 26877.23 0.00 0.00
0.00 26877.23 -0.00
0.00 0.00 26796.57
local stress (kbar)-103340.53 0.03 0.00
0.03-103340.50 0.00
0.00 0.00 89394.48
nonloc. stress (kbar) 7797.15 0.00 0.00
0.00 7797.15 -0.00
-0.00 0.00 7783.71
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.96
0.00002009 -0.00000000 0.00000000 2.96 -0.00 0.00
-0.00000000 0.00002009 -0.00000000 -0.00 2.96 -0.00
0.00000000 -0.00000000 0.00002028 0.00 -0.00 2.98
kinetic stress (kbar) 26879.49 0.00 0.00
0.00 26879.49 -0.00
0.00 -0.00 26798.86
local stress (kbar)-103299.75 0.03 0.00
0.03-103299.72 0.00
0.00 0.00 89348.84
nonloc. stress (kbar) 7797.79 -0.00 0.00
-0.00 7797.79 -0.00
0.00 -0.00 7784.40
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -0.83
-0.00000653 -0.00000000 -0.00000000 -0.96 -0.00 -0.00
0.00000000 -0.00000653 0.00000000 0.00 -0.96 0.00
0.00000000 0.00000000 -0.00000384 0.00 0.00 -0.56
kinetic stress (kbar) 26883.07 0.00 -0.00
0.00 26883.07 -0.00
-0.00 -0.00 26802.38
local stress (kbar)-103303.36 0.03 0.00
0.03-103303.33 0.00
0.00 0.00 89345.22
nonloc. stress (kbar) 7795.83 -0.00 0.00
-0.00 7795.83 0.00
0.00 0.00 7782.70
[rencong at mu01 phonon]$ grep 'pressure' -A 15 relax.out
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -18.52
-0.00012920 -0.00000000 0.00000000 -19.01 -0.00 0.00
-0.00000000 -0.00012920 0.00000000 -0.00 -19.01 0.00
-0.00000000 0.00000000 -0.00011929 -0.00 0.00 -17.55
kinetic stress (kbar) 26166.32 0.00 -0.00
0.00 26166.32 -0.00
-0.00 -0.00 26099.04
local stress (kbar)-102748.01 0.03 0.00
0.03-102747.97 -0.00
0.00 -0.00 87902.19
nonloc. stress (kbar) 7590.36 0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -6.59
-0.00005175 0.00000000 -0.00000000 -7.61 0.00 -0.00
0.00000000 -0.00005175 -0.00000000 0.00 -7.61 -0.00
-0.00000000 0.00000000 -0.00003097 -0.00 0.00 -4.56
kinetic stress (kbar) 26465.48 -0.00 0.00
-0.00 26465.48 -0.00
0.00 -0.00 26398.05
local stress (kbar)-104097.07 0.03 -0.00
0.03-104097.04 -0.00
-0.00 -0.00 89787.95
nonloc. stress (kbar) 7677.99 0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.36
0.00000966 -0.00000000 -0.00000000 1.42 -0.00 -0.00
-0.00000000 0.00000966 -0.00000000 -0.00 1.42 -0.00
0.00000000 0.00000000 0.00002879 0.00 0.00 4.24
kinetic stress (kbar) 26730.55 -0.00 0.00
-0.00 26730.55 -0.00
0.00 -0.00 26659.83
local stress (kbar)-104809.03 0.03 0.00
0.03-104809.00 0.00
0.00 0.00 90913.61
nonloc. stress (kbar) 7754.96 -0.00 -0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 4.35
0.00002638 -0.00000000 -0.00000000 3.88 -0.00 -0.00
-0.00000000 0.00002638 0.00000000 -0.00 3.88 0.00
0.00000000 -0.00000000 0.00003588 0.00 -0.00 5.28
kinetic stress (kbar) 26827.21 -0.00 -0.00
-0.00 26827.21 -0.00
-0.00 -0.00 26752.62
local stress (kbar)-104595.93 0.03 -0.00
0.03-104595.90 0.00
-0.00 0.00 90784.35
nonloc. stress (kbar) 7782.88 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 4.20
0.00003020 -0.00000000 0.00000000 4.44 -0.00 0.00
-0.00000000 0.00003020 -0.00000000 -0.00 4.44 -0.00
0.00000000 -0.00000000 0.00002534 0.00 -0.00 3.73
kinetic stress (kbar) 26892.30 -0.00 0.00
-0.00 26892.30 -0.00
0.00 -0.00 26812.44
local stress (kbar)-103912.31 0.03 -0.00
0.03-103912.27 0.00
-0.00 0.00 90077.86
nonloc. stress (kbar) 7801.49 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 3.43
0.00002586 -0.00000000 0.00000000 3.80 -0.00 0.00
-0.00000000 0.00002586 0.00000000 -0.00 3.80 0.00
0.00000000 0.00000000 0.00001815 0.00 0.00 2.67
kinetic stress (kbar) 26889.59 -0.00 0.00
-0.00 26889.59 -0.00
0.00 0.00 26808.35
local stress (kbar)-103553.25 0.03 0.00
0.03-103553.21 -0.00
0.00 -0.00 89660.57
nonloc. stress (kbar) 7800.75 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.86
0.00002148 -0.00000000 0.00000000 3.16 -0.00 0.00
-0.00000000 0.00002148 0.00000000 -0.00 3.16 0.00
0.00000000 -0.00000000 0.00001546 0.00 -0.00 2.27
kinetic stress (kbar) 26878.27 -0.00 -0.00
-0.00 26878.27 -0.00
-0.00 -0.00 26797.15
local stress (kbar)-103430.78 0.03 -0.00
0.03-103430.75 0.00
-0.00 0.00 89504.12
nonloc. stress (kbar) 7797.39 -0.00 -0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.84
0.00002049 -0.00000000 0.00000000 3.01 -0.00 0.00
-0.00000000 0.00002049 -0.00000000 -0.00 3.01 -0.00
0.00000000 0.00000000 0.00001691 0.00 0.00 2.49
kinetic stress (kbar) 26876.69 -0.00 -0.00
-0.00 26876.69 0.00
0.00 0.00 26795.80
local stress (kbar)-103375.92 0.03 0.00
0.03-103375.89 -0.00
0.00 -0.00 89436.81
nonloc. stress (kbar) 7796.95 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.93
0.00002030 -0.00000000 0.00000000 2.99 -0.00 0.00
-0.00000000 0.00002030 -0.00000000 -0.00 2.99 -0.00
-0.00000000 0.00000000 0.00001921 -0.00 0.00 2.83
kinetic stress (kbar) 26877.23 0.00 0.00
0.00 26877.23 -0.00
0.00 0.00 26796.57
local stress (kbar)-103340.53 0.03 0.00
0.03-103340.50 0.00
0.00 0.00 89394.48
nonloc. stress (kbar) 7797.15 0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= 2.96
0.00002009 -0.00000000 0.00000000 2.96 -0.00 0.00
-0.00000000 0.00002009 -0.00000000 -0.00 2.96 -0.00
0.00000000 -0.00000000 0.00002028 0.00 -0.00 2.98
kinetic stress (kbar) 26879.49 0.00 0.00
0.00 26879.49 -0.00
0.00 -0.00 26798.86
local stress (kbar)-103299.75 0.03 0.00
0.03-103299.72 0.00
0.00 0.00 89348.84
nonloc. stress (kbar) 7797.79 -0.00 0.00
--
Computing stress (Cartesian axis) and pressure
total stress (Ry/bohr**3) (kbar) P= -0.83
-0.00000653 -0.00000000 -0.00000000 -0.96 -0.00 -0.00
0.00000000 -0.00000653 0.00000000 0.00 -0.96 0.00
0.00000000 0.00000000 -0.00000384 0.00 0.00 -0.56
kinetic stress (kbar) 26883.07 0.00 -0.00
0.00 26883.07 -0.00
-0.00 -0.00 26802.38
local stress (kbar)-103303.36 0.03 0.00
0.03-103303.33 0.00
0.00 0.00 89345.22
nonloc. stress (kbar) 7795.83 -0.00 0.00
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