← Back to all jobs

Job 49f61bee-ff3a-424f-8ac5-02fd4a309ded

Job Information

Name
ZrO2
MLP
Allegro-OAM-L
Space group
Fm-3m (225)
Materials Project
unnamed_structure
Status
Completed
Worker
sol-login01-1884895
Created
20260523 23:37:58
Updated
20260622 14:33:15

Melting Temperature

uMLIP: 3117 +/- 117 K
PBE Correction: 2889 K
Expt Correction: 2605 K
The fit figure below shows the trajectory counts at each temperature and the MPFit result.

Melting Temperature Fit

Download MPFit Figure
MPFit
SLUSCHI Output
Download SLUSCHI.out 
=======================================================================================================
Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces (SLUSCHI)
Developed and maintained by Qi-Jun Hong, with early research support from Axel van de Walle (2014-2020)
=======================================================================================================
Generating solid with radius = 9
*** Generate a supercell from the current unitcell ***
The supercell is:
   0.0000000000000000        0.0000000000000000       -10.180290823208948     
  -5.9999999999999999E-016   10.180290823208948        5.9999999999999999E-016
   10.180290823208948        0.0000000000000000        5.9999999999999999E-016
|a|,|b|,|c|,theta(bc),theta(ac),theta(ab):
    10.180    10.180    10.180    90.000    90.000    90.000
In UNIT-cell, number of atoms:    4    8 total:    12
Inverse Matrix is:
   5.7893643277080449E-018  -0.0000000000000000        9.8229020895965746E-002
   5.7893643277080449E-018   9.8229020895965746E-002   5.7893643277080449E-018
  -9.8229020895965746E-002   0.0000000000000000        0.0000000000000000     
In SUPER-cell, number of atoms:   32   64 total:   96
POSCAR_STRCT atoms = 96
Accepted radius = 9 with 96 atoms
====================================================================================================
/data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps
['Zr', 'O']
elements: ['Zr', 'O']
counts: [32, 64]
Original Tm = 1000.0
New temp      = 500
New temp_end  = 2000
500, 2000, 1
Adaptive temp step = 500
500
Start running job (temp, id) 500 1000 ...
Using closest available scale or default: 1.0
==============================
Iteration 1
Current scale = 1.0
Pressure = 31223.528000
New scale = 1.01
==============================
Iteration 2
Current scale = 1.01
Pressure = -13096.525940
Step reduced to 0.005
New scale = 1.0050000000000001
==============================
Iteration 3
Current scale = 1.0050000000000001
Pressure = 7732.741100
Step reduced to 0.0025
New scale = 1.0075
==============================
Iteration 4
Current scale = 1.0075
Pressure = -2212.847680
Converged!
Now running full trajectory...
Completed!
==============================
1000
Start running job (temp, id) 1000 1000 ...
Using closest available scale or default: 1.0075
==============================
Iteration 1
Current scale = 1.0075
Pressure = 28893.210500
New scale = 1.0175
==============================
Iteration 2
Current scale = 1.0175
Pressure = -16371.522100
Step reduced to 0.005
New scale = 1.0125000000000002
==============================
Iteration 3
Current scale = 1.0125000000000002
Pressure = 6953.137620
Step reduced to 0.0025
New scale = 1.0150000000000001
==============================
Iteration 4
Current scale = 1.0150000000000001
Pressure = -1518.065760
Converged!
Now running full trajectory...
Completed!
==============================
1500
Start running job (temp, id) 1500 1000 ...
Using closest available scale or default: 1.0150000000000001
==============================
Iteration 1
Current scale = 1.0150000000000001
Pressure = 27673.202600
New scale = 1.0250000000000001
==============================
Iteration 2
Current scale = 1.0250000000000001
Pressure = -6815.559810
Step reduced to 0.005
New scale = 1.0200000000000002
==============================
Iteration 3
Current scale = 1.0200000000000002
Pressure = 4135.655774
Converged!
Now running full trajectory...
Completed!
==============================
2000
Start running job (temp, id) 2000 1000 ...
Using closest available scale or default: 1.0200000000000002
==============================
Iteration 1
Current scale = 1.0200000000000002
Pressure = 36705.929200
New scale = 1.0300000000000002
==============================
Iteration 2
Current scale = 1.0300000000000002
Pressure = -141.033840
Converged!
Now running full trajectory...
Completed!
==============================
500, 500, 1
Adaptive temp step = 100
500
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.out
Collected 4 folders
Wrote phase_pred.csv
Label counts:
solid = 4
liquid = 0
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2044.93 K
Uncertainty = 6615.32 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2044.9288524999999 6618.9760650078679
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 2800.0 K
2800, 2800, 1
Adaptive temp step = 100
2800
Start running job (temp, id) 2800 1000 ...
Using closest available scale or default: 1.0300000000000002
==============================
Iteration 1
Current scale = 1.0300000000000002
Pressure = 37273.917000
New scale = 1.0400000000000003
==============================
Iteration 2
Current scale = 1.0400000000000003
Pressure = 20746.896540
New scale = 1.0500000000000003
==============================
Iteration 3
Current scale = 1.0500000000000003
Pressure = -20296.063645
Step reduced to 0.005
New scale = 1.0450000000000004
==============================
Iteration 4
Current scale = 1.0450000000000004
Pressure = 4016.615820
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.out
Collected 5 folders
Wrote phase_pred.csv
Label counts:
solid = 5
liquid = 0
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        1 |        0 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2859.99 K
Uncertainty = 9737.40 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2859.9890240000004 9740.9052984187711
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 3600.0 K
3600, 3600, 1
Adaptive temp step = 100
3600
Start running job (temp, id) 3600 1000 ...
Using closest available scale or default: 1.0450000000000004
==============================
Iteration 1
Current scale = 1.0450000000000004
Pressure = 41335.777100
New scale = 1.0550000000000004
==============================
Iteration 2
Current scale = 1.0550000000000004
Pressure = 18705.754200
New scale = 1.0650000000000004
==============================
Iteration 3
Current scale = 1.0650000000000004
Pressure = 1095.081930
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.out
Collected 6 folders
Wrote phase_pred.csv
Label counts:
solid = 5
liquid = 1
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        1 |        0 |        1
    3600 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2891.45 K
Uncertainty = 14264.39 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2891.4451080000003 14289.884840327533
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3600 0 1 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 3200.0000000000000 K
3200, 3200, 1
Adaptive temp step = 100
3200
Start running job (temp, id) 3200 1000 ...
Using closest available scale or default: 1.0450000000000004
==============================
Iteration 1
Current scale = 1.0450000000000004
Pressure = 19300.112740
New scale = 1.0550000000000004
==============================
Iteration 2
Current scale = 1.0550000000000004
Pressure = -204.641640
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.out
Collected 7 folders
Wrote phase_pred.csv
Label counts:
solid = 5
liquid = 2
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        1 |        0 |        1
    3200 |        0 |        1 |        1
    3600 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2889.21 K
Uncertainty = 14386.81 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2889.2136659999996 14376.928605472332
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3200 0 1 1
3600 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2800.0000000000000 K
next job: 4 MD duplicate(s) at 3200.0000000000000 K
2800, 2800, 4
Adaptive temp step = 100
2800
Start running job (temp, id) 2800 1100 ...
Using scale from current temperature folder: 1.0450000000000004
==============================
Iteration 1
Current scale = 1.0450000000000004
Pressure = -1165.027632
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1200 ...
Using scale from current temperature folder: 1.0450000000000004
==============================
Iteration 1
Current scale = 1.0450000000000004
Pressure = 3552.744450
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1300 ...
Using scale from current temperature folder: 1.0450000000000004
==============================
Iteration 1
Current scale = 1.0450000000000004
Pressure = -5474.853745
Step reduced to 0.005
New scale = 1.0400000000000005
==============================
Iteration 2
Current scale = 1.0400000000000005
Pressure = 4038.833899
Converged!
Now running full trajectory...
Completed!
==============================
3200, 3200, 4
Adaptive temp step = 100
3200
Start running job (temp, id) 3200 1100 ...
Using scale from current temperature folder: 1.0550000000000004
==============================
Iteration 1
Current scale = 1.0550000000000004
Pressure = -9351.871008
Step reduced to 0.005
New scale = 1.0500000000000005
==============================
Iteration 2
Current scale = 1.0500000000000005
Pressure = 9301.984140
Step reduced to 0.0025
New scale = 1.0525000000000004
==============================
Iteration 3
Current scale = 1.0525000000000004
Pressure = 7619.534450
New scale = 1.0550000000000004
==============================
Iteration 4
Current scale = 1.0550000000000004
Pressure = -2111.949260
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3200 1200 ...
Using scale from current temperature folder: 1.0550000000000004
==============================
Iteration 1
Current scale = 1.0550000000000004
Pressure = -5404.394420
Step reduced to 0.005
New scale = 1.0500000000000005
==============================
Iteration 2
Current scale = 1.0500000000000005
Pressure = 15167.319020
Step reduced to 0.0025
New scale = 1.0525000000000004
==============================
Iteration 3
Current scale = 1.0525000000000004
Pressure = 9109.250990
New scale = 1.0550000000000004
==============================
Iteration 4
Current scale = 1.0550000000000004
Pressure = 272.824211
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3200 1300 ...
Using scale from current temperature folder: 1.0550000000000004
==============================
Iteration 1
Current scale = 1.0550000000000004
Pressure = 4216.218200
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.out
Collected 13 folders
Wrote phase_pred.csv
Label counts:
solid = 9
liquid = 4
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        4 |        0 |        4
    3200 |        1 |        3 |        4
    3600 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 3186.26 K
Uncertainty = 10590.32 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 3186.2592651790419 10684.683624336776
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 4 0 4
3200 1 3 4
3600 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2800.0000000000000 K
next job: 4 MD duplicate(s) at 3200.0000000000000 K
next job: 4 MD duplicate(s) at 3200.0000000000000 K
next job: 4 MD duplicate(s) at 3600.0000000000000 K
next job: 4 MD duplicate(s) at 3200.0000000000000 K
next job: 4 MD duplicate(s) at 3600.0000000000000 K
2800, 2800, 4
Adaptive temp step = 100
2800
3200, 3200, 4
Adaptive temp step = 100
3200
3200, 3200, 4
Adaptive temp step = 100
3200
3600, 3600, 4
Adaptive temp step = 100
3600
Start running job (temp, id) 3600 1100 ...
Using scale from current temperature folder: 1.0650000000000004
==============================
Iteration 1
Current scale = 1.0650000000000004
Pressure = 9299.392050
New scale = 1.0750000000000004
==============================
Iteration 2
Current scale = 1.0750000000000004
Pressure = -579.198140
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3600 1200 ...
Using scale from current temperature folder: 1.0750000000000004
==============================
Iteration 1
Current scale = 1.0750000000000004
Pressure = 10971.623000
New scale = 1.0850000000000004
==============================
Iteration 2
Current scale = 1.0850000000000004
Pressure = -5236.385286
Step reduced to 0.005
New scale = 1.0800000000000005
==============================
Iteration 3
Current scale = 1.0800000000000005
Pressure = 8734.387100
Step reduced to 0.0025
New scale = 1.0825000000000005
==============================
Iteration 4
Current scale = 1.0825000000000005
Pressure = -5975.407930
Step reduced to 0.00125
New scale = 1.0812500000000005
==============================
Iteration 5
Current scale = 1.0812500000000005
Pressure = 3463.545320
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3600 1300 ...
Using scale from current temperature folder: 1.0812500000000005
==============================
Iteration 1
Current scale = 1.0812500000000005
Pressure = -12305.599040
Step reduced to 0.005
New scale = 1.0762500000000006
==============================
Iteration 2
Current scale = 1.0762500000000006
Pressure = -954.114090
Converged!
Now running full trajectory...
Completed!
==============================
3200, 3200, 4
Adaptive temp step = 100
3200
3600, 3600, 4
Adaptive temp step = 100
3600
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.out
Collected 16 folders
Wrote phase_pred.csv
Label counts:
solid = 9
liquid = 7
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        4 |        0 |        4
    3200 |        1 |        3 |        4
    3600 |        0 |        4 |        4
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 3117.19 K
Uncertainty = 115.94 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 3116.5918734822549 116.20130247142733
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 4 0 4
3200 1 3 4
3600 0 4 4
 current fit
           1   3116.5918734822549        116.20130247142733     
 possibilities:
 current fit
           0   3116.5918734822549        116.20130247142733     
 possibilities:
MP accuracy achieved. Stopping code...
summary.out
======================================================================================================================================================
folder  poteng [eV/atom]  kineng [eV/atom]  temp [K]     volume [Ang^3/atom]  press [bar]   energy_slope  energy_dir  diffusion [cm^2/s]  spg   
------  ----------------  ----------------  -----------  -------------------  ------------  ------------  ----------  ------------------  ------
1000/1  -9.318675         0.128771          1001.433525  12.203969            -1293.135710  -0.00000036   down        4.240e-08           P1 (1)
1500/1  -9.245765         0.190953          1485.007870  12.401721            4414.233890   -0.00000101   down        8.610e-09           P1 (1)
2000/1  -9.165835         0.256812          1997.189850  12.648110            549.070010    -0.00000358   down        2.410e-07                 
2800/1  -8.959229         0.358631          2789.014605  13.411029            8881.438762   0.00000502    up          1.640e-06           P1 (1)
2800/2  -8.993728         0.363274          2825.120465  13.323255            -1759.856828  0.00000050    up          2.170e-07           P1 (1)
2800/3  -8.990002         0.363283          2825.195560  13.328931            -2156.426590  -0.00000291   down        5.980e-08           P1 (1)
2800/4  -8.973198         0.363859          2829.670195  13.466773            -8969.511060  0.00000267    up          8.030e-07           P1 (1)
3200/1  -8.818338         0.412174          3205.411055  14.259537            28176.128295  0.00000943    up          9.920e-06           P1 (1)
3200/2  -8.808599         0.411899          3203.274705  14.180881            41582.857000  0.00001401    up          3.350e-05           P1 (1)
3200/3  -8.807043         0.407410          3168.359550  14.223212            33335.911600  0.00001084    up          2.980e-05           P1 (1)
3200/4  -8.840037         0.409707          3186.225415  14.169824            2305.926532   0.00000389    up          1.320e-06           P1 (1)
3600/1  -8.698412         0.464431          3611.808285  15.683805            22877.107210  0.00000674    up          4.770e-05           P1 (1)
3600/2  -8.688210         0.464490          3612.268195  15.873446            12952.892757  0.00000638    up          3.870e-05           P1 (1)
3600/3  -8.693446         0.459764          3575.509860  15.905727            19683.418440  0.00000282    up          7.530e-05           P1 (1)
3600/4  -8.687866         0.459462          3573.163360  16.025119            17074.549892  0.00000659    up          7.910e-05           P1 (1)
500/1   -9.387015         0.064030          497.953884   11.988632            -1505.975407  0.00000022    up          7.990e-08           P1 (1)
======================================================================================================================================================
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/summary.out
Collected 16 folders
Wrote phase_pred.csv
Label counts:
solid = 9
liquid = 7
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        4 |        0 |        4
    3200 |        1 |        3 |        4
    3600 |        0 |        4 |        4
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 3117.38 K
Uncertainty = 115.73 K
====================================
Wrote /data/qhong7/qhong7/sluschi_auto/49f61bee-ff3a-424f-8ac5-02fd4a309ded/Zr4O8/Dir_lammps/cost_table.out
Collected 60 log files

====================================
Computational cost summary:
Number of trajectories (temp/id) = 16
Total log files (incl. subruns)  = 60
Total wall time                 = 20:36:18
Total seconds                  = 74178
Total GPU hours                = 20.61
====================================

=== PBE correction ===
N rows with PBE energy = 8
MT_LMP = 3117.3786178384084
STD_LMP = 115.72589552260189
SOLID (PBE present only):
  lammps_poteng_eV_per_atom = -8.95628937
  PBE_energy_eV_per_atom = -9.04961827
LIQUID (PBE present only):
  lammps_poteng_eV_per_atom = -8.80611059
  PBE_energy_eV_per_atom = -8.90480244
DH_LMP_raw_PBE = 0.15017878 eV/atom
DH_LMP_PBE = 0.07307544 eV/atom
DH_PBE = 0.06771248 eV/atom
Cp_solid_PBE = 1.90770785e-04 eV/atom/K
Cp_liquid_PBE = 2.91125109e-04 eV/atom/K
Cp_avg_PBE = 2.40947947e-04 eV/atom/K
DeltaT_PBE = 320.00 K
DH_raw_PBE = 0.14481583 eV/atom
MT_PBE = 2888.59626584 K
Submitted POSCAR 
Zr4 O8
1.0
   5.0901454116044738    0.0000000000000000    0.0000000000000003
  -0.0000000000000003    5.0901454116044738    0.0000000000000003
   0.0000000000000000    0.0000000000000000    5.0901454116044738
Zr O
4 8
direct
   0.0000000000000000    0.0000000000000000    0.0000000000000000 Zr4+
   0.0000000000000000    0.5000000000000000    0.5000000000000000 Zr4+
   0.5000000000000000    0.0000000000000000    0.5000000000000000 Zr4+
   0.5000000000000000    0.5000000000000000    0.0000000000000000 Zr4+
   0.7500000000000000    0.2500000000000000    0.7500000000000000 O2-
   0.7500000000000000    0.7500000000000000    0.7500000000000000 O2-
   0.7500000000000000    0.7500000000000000    0.2500000000000000 O2-
   0.7500000000000000    0.2500000000000000    0.2500000000000000 O2-
   0.2500000000000000    0.2500000000000000    0.2500000000000000 O2-
   0.2500000000000000    0.7500000000000000    0.2500000000000000 O2-
   0.2500000000000000    0.7500000000000000    0.7500000000000000 O2-
   0.2500000000000000    0.2500000000000000    0.7500000000000000 O2-

Returned Output Files

No output files have been received yet.