[AFLOW] ************************************************************************************************************************** 
[AFLOW]                                                                                     
[AFLOW]                     .o.        .o88o. oooo                                          
[AFLOW]                    .888.       888 `` `888                                          
[AFLOW]                   .8'888.     o888oo   888   .ooooo.  oooo oooo    ooo              
[AFLOW]                  .8' `888.     888     888  d88' `88b  `88. `88.  .8'               
[AFLOW]                 .88ooo8888.    888     888  888   888   `88..]88..8'                
[AFLOW]                .8'     `888.   888     888  888   888    `888'`888'                 
[AFLOW]               o88o     o8888o o888o   o888o `Y8bod8P'     `8'  `8'  .in             
[AFLOW]                                                                                     
[AFLOW] ************************************************************************************************************************** 
[AFLOW] * Stefano Curtarolo - (AFLOW V3.1.228) 
[AFLOW] * D. Morgan, W. Setyawan, G. Hart, M. Jahnatek, S. Wang, O. Levy, K. Yang, J. Xue,  
[AFLOW] * R. Taylor, C. Calderon, C. Toher, C. Oses, J. J. Plata, D. Hicks, M. Esters,      
[AFLOW] * P. Nath, F. Rose, E. Gossett, E. Perim, R. Chepulskyy, K. Rasch, M. Fornari,      
[AFLOW] * M. Buongiorno Nardelli 
[AFLOW] ************************************************************************************************************************** 
[AFLOW] AFLOW automatically generated (aflow_avasp.cpp) 
[AFLOW] GENERATOR = corey 
[AFLOW] ************************************************************************************************************************** 
[AFLOW] ************************************************************************************************************************** 
[AFLOW]SYSTEM=CdI.ICSD_42216.AB
[AFLOW] ************************************************************************************************************************** 
[AFLOW] input file for aflow 
[AFLOW_MODE=VASP] 
[AFLOW] ************************************************************************************************************************** 
[AFLOW_MODE_ZIP=xz] 
[AFLOW_MODE_BINARY=vasp46s] 
[AFLOW] ************************************************************************************************************************** 
[AFLOW] ************************************************************************************************************************** 
#[AFLOW_MODE_MPI]
[AFLOW_MODE_MPI_MODE]NCPUS=MAX 
[AFLOW_MODE_MPI_MODE]COMMAND ="mpirun -np" 
[AFLOW_MODE_MPI_MODE]AUTOTUNE 
[AFLOW_MODE_MPI_MODE]BINARY="mpivasp46s" 
[AFLOW] ************************************************************************************************************************** 
[AFLOW_SYMMETRY]CALC                                        // README_AFLOW_SYM.TXT
#[AFLOW_SYMMETRY]SGROUP_WRITE                               // README_AFLOW_SYM.TXT
#[AFLOW_SYMMETRY]SGROUP_RADIUS=7.77                         // README_AFLOW_SYM.TXT
[AFLOW] ************************************************************************************************************************** 
#[AFLOW_NEIGHBOURS]CALC                                     // README_AFLOW.TXT
[AFLOW_NEIGHBOURS]RADIUS=7.7                                // README_AFLOW.TXT
[AFLOW_NEIGHBOURS]DRADIUS=0.1                               // README_AFLOW.TXT
[AFLOW] ************************************************************************************************************************** 
#[AFLOW_APL]CALC                                            // README_AFLOW_APL.TXT
[AFLOW_APL]DC=ON                                            // README_AFLOW_APL.TXT
[AFLOW_APL]DCPATH=LATTICE                                   // README_AFLOW_APL.TXT
[AFLOW_APL]DCPOINTS=100                                     // README_AFLOW_APL.TXT
[AFLOW_APL]DINEQUIV_ONLY=ON                                 // README_AFLOW_APL.TXT
[AFLOW_APL]DMAG=0.015                                       // README_AFLOW_APL.TXT
[AFLOW_APL]DOS=ON                                           // README_AFLOW_APL.TXT
[AFLOW_APL]DOSMESH=21x21x21                                 // README_AFLOW_APL.TXT
[AFLOW_APL]DOSMETHOD=LT                                     // README_AFLOW_APL.TXT
[AFLOW_APL]DOSPOINTS=2000                                   // README_AFLOW_APL.TXT
[AFLOW_APL]DPM=ON                                           // README_AFLOW_APL.TXT
[AFLOW_APL]DSYMMETRIZE=ON                                   // README_AFLOW_APL.TXT
[AFLOW_APL]DXYZONLY=OFF                                     // README_AFLOW_APL.TXT
[AFLOW_APL]ENGINE=DM                                        // README_AFLOW_APL.TXT
[AFLOW_APL]FREQFORMAT=THZ|ALLOW_NEGATIVE                    // README_AFLOW_APL.TXT
[AFLOW_APL]HIBERNATE=ON                                     // README_AFLOW_APL.TXT
[AFLOW_APL]KPPRA=2000                                       // README_AFLOW_APL.TXT
[AFLOW_APL]KSCHEME=G                                        // README_AFLOW_APL.TXT
[AFLOW_APL]MINATOMS=175                                     // README_AFLOW_APL.TXT
[AFLOW_APL]POLAR=ON                                         // README_AFLOW_APL.TXT
[AFLOW_APL]PREC=PHONONS                                     // README_AFLOW_APL.TXT
[AFLOW_APL]RELAX=ON                                         // README_AFLOW_APL.TXT
[AFLOW_APL]TP=ON                                            // README_AFLOW_APL.TXT
[AFLOW_APL]TPT=0:2000:10                                    // README_AFLOW_APL.TXT
[AFLOW_APL]ZEROSTATE=ON                                     // README_AFLOW_APL.TXT
[AFLOW_APL]ZEROSTATE_CHGCAR=OFF                             // README_AFLOW_APL.TXT
[AFLOW] ************************************************************************************************************************** 
#[AFLOW_QHA]CALC                                            // README_AFLOW_QHA_SCQHA_QHA3P.TXT
[AFLOW_QHA]MODE=QHA3P                                       // README_AFLOW_QHA_SCQHA_QHA3P.TXT
[AFLOW_QHA]EOS=y                                            // README_AFLOW_QHA_SCQHA_QHA3P.TXT
[AFLOW] ************************************************************************************************************************** 
#[AFLOW_AAPL]CALC                                           // README_AFLOW_APL.TXT
[AFLOW_AAPL]BOUNDARY=OFF                                    // README_AFLOW_APL.TXT
[AFLOW_AAPL]BTE=FULL                                        // README_AFLOW_APL.TXT
[AFLOW_AAPL]CUMULATIVEK=OFF                                 // README_AFLOW_APL.TXT
[AFLOW_AAPL]CUT_RAD=0.0                                     // README_AFLOW_APL.TXT
[AFLOW_AAPL]CUT_SHELL=6                                     // README_AFLOW_APL.TXT
[AFLOW_AAPL]FOURTH_ORDER=OFF                                // README_AFLOW_APL.TXT
[AFLOW_AAPL]ISOTOPE=ON                                      // README_AFLOW_APL.TXT
[AFLOW_AAPL]MIXING_COEFFICIENT=0                            // README_AFLOW_APL.TXT
[AFLOW_AAPL]NANO_SIZE=100                                   // README_AFLOW_APL.TXT
[AFLOW_AAPL]SUMRULE=1e-07                                   // README_AFLOW_APL.TXT
[AFLOW_AAPL]SUMRULE_MAX_ITER=2000                           // README_AFLOW_APL.TXT
[AFLOW_AAPL]TCT=50:550:50                                   // README_AFLOW_APL.TXT
[AFLOW_AAPL]THERMALGRID=26x26x26                            // README_AFLOW_APL.TXT
[AFLOW] ************************************************************************************************************************** 
#[AFLOW_AGL]CALC                                            // README_AFLOW_AGL.TXT
[AFLOW_AGL]AEL_POISSON_RATIO=ON                             // README_AFLOW_AGL.TXT
[AFLOW_AGL]DIRNAME_ARUN=ON                                  // README_AFLOW_AGL.TXT
[AFLOW_AGL]NTEMP=201                                        // README_AFLOW_AGL.TXT
[AFLOW_AGL]HUGONIOT_CALC=ON                                 // README_AFLOW_AGL.TXT
[AFLOW_AGL]NPRESSURE=101                                    // README_AFLOW_AGL.TXT
[AFLOW_AGL]SPRESSURE=1.0                                    // README_AFLOW_AGL.TXT
[AFLOW_AGL]NSTRUCTURES=28                                   // README_AFLOW_AGL.TXT
[AFLOW_AGL]STRAIN_STEP=0.01                                 // README_AFLOW_AGL.TXT
[AFLOW_AGL]WRITE_GIBBS_INPUT=OFF                            // README_AFLOW_AGL.TXT
[AFLOW_AGL]WRITE_FULL_RESULTS=OFF                           // README_AFLOW_AGL.TXT
[AFLOW_AGL]PLOT_RESULTS=OFF                                 // README_AFLOW_AGL.TXT
[AFLOW_AGL]IEOS=0                                           // README_AFLOW_AGL.TXT
[AFLOW_AGL]IDEBYE=0                                         // README_AFLOW_AGL.TXT
[AFLOW_AGL]CHECK_EV_CONCAVITY=OFF                           // README_AFLOW_AGL.TXT
[AFLOW_AGL]CHECK_EV_MIN=OFF                                 // README_AFLOW_AGL.TXT
[AFLOW_AGL]FIT_TYPE=0                                       // README_AFLOW_AGL.TXT
[AFLOW_AGL]AUTOSKIP_FAILED_ARUNS=OFF                        // README_AFLOW_AGL.TXT
[AFLOW_AGL]SKIP_FAILED_ARUNS=                               // README_AFLOW_AGL.TXT
[AFLOW_AGL]SKIP_ARUNS_MAX=7                                 // README_AFLOW_AGL.TXT
[AFLOW_AGL]RUN_ALL_PRESSURE_TEMPERATURE=OFF                 // README_AFLOW_AGL.TXT
[AFLOW_AGL]HUGONIOT_EXTRAPOLATE=OFF                         // README_AFLOW_AGL.TXT
[AFLOW_AGL]PRECACC_ALGONORM=OFF                             // README_AFLOW_AGL.TXT
[AFLOW] ************************************************************************************************************************** 
#[AFLOW_AEL]CALC                                            // README_AFLOW_AEL.TXT
[AFLOW_AEL]STRAIN_SYMMETRY=ON                               // README_AFLOW_AEL.TXT
[AFLOW_AEL]DIRNAME_ARUN=ON                                  // README_AFLOW_AEL.TXT
[AFLOW_AEL]NNORMAL_STRAINS=4                                // README_AFLOW_AEL.TXT
[AFLOW_AEL]NSHEAR_STRAINS=4                                 // README_AFLOW_AEL.TXT
[AFLOW_AEL]NORMAL_STRAIN_STEP=0.005                         // README_AFLOW_AEL.TXT
[AFLOW_AEL]SHEAR_STRAIN_STEP=0.005                          // README_AFLOW_AEL.TXT
[AFLOW_AEL]CHECK_ELASTIC_SYMMETRY=OFF                       // README_AFLOW_AEL.TXT
[AFLOW_AEL]WRITE_FULL_RESULTS=OFF                           // README_AFLOW_AEL.TXT
[AFLOW_AEL]ORIGIN_STRAIN_CALC=OFF                           // README_AFLOW_AEL.TXT
[AFLOW_AEL]RELAXED_STRUCT_FIT=OFF                           // README_AFLOW_AEL.TXT
[AFLOW_AEL]ORIGIN_STRAIN_FIT=OFF                            // README_AFLOW_AEL.TXT
[AFLOW_AEL]NEG_STRAINS=ON                                   // README_AFLOW_AEL.TXT
[AFLOW_AEL]NIND_STRAINS=3                                   // README_AFLOW_AEL.TXT
[AFLOW_AEL]SYM_TOL_FRAC=0.05                                // README_AFLOW_AEL.TXT
[AFLOW_AEL]VASPRUNXML_STRESS=OFF                            // README_AFLOW_AEL.TXT
[AFLOW_AEL]PRECACC_ALGONORM=OFF                             // README_AFLOW_AEL.TXT
[AFLOW_AEL]SYMMETRIZE=OFF                                   // README_AFLOW_AEL.TXT
[AFLOW_AEL]VASPSYM=OFF                                      // README_AFLOW_AEL.TXT
[AFLOW_AEL]AUTOSKIP_FAILED_ARUNS=OFF                        // README_AFLOW_AEL.TXT
[AFLOW_AEL]SKIP_FAILED_ARUNS=                               // README_AFLOW_AEL.TXT
[AFLOW_AEL]SKIP_ARUNS_MAX=1                                 // README_AFLOW_AEL.TXT
[AFLOW] ************************************************************************************************************************** 
[VASP_RUN]RELAX=2                                           // GENERATE | STATIC | RELAX=N | RELAX_STATIC=N | STATIC_BANDS | RELAX_STATIC_BANDS=N | REPEAT_BANDS [,DS[,DD[,DSCF]]] 
[VASP_FORCE_OPTION]NEGLECT_NOMIX 
[VASP_FORCE_OPTION]WAVECAR=OFF                              // ON | OFF (default: DEFAULT_VASP_FORCE_OPTION_WAVECAR in .aflow.rc)
[VASP_FORCE_OPTION]CHGCAR=ON                                // ON | OFF (default: DEFAULT_VASP_FORCE_OPTION_CHGCAR in .aflow.rc)
#[VASP_FORCE_OPTION]KPOINTS=keyword[,keyword]               // EVEN | ODD | KSHIFT_GAMMA_EVEN | KSHIFT_GAMMA_ODD | KSCHEME_MONKHORST_PACK | KSCHEME_GAMMA | GAMMA | KEEPK | IBZKPT
[VASP_FORCE_OPTION]SYM=ON                                   // ON | OFF  (default: DEFAULT_VASP_FORCE_OPTION_SYM in .aflow.rc)
[VASP_FORCE_OPTION]AUTO_PSEUDOPOTENTIALS=potpaw_PBE         // pot_LDA | pot_GGA | potpaw_LDA | potpaw_GGA | potpaw_PBE | potpaw_LDA_KIN | potpaw_PBE_KIN  
[VASP_FORCE_OPTION]NBANDS                                   // Estimate Bands (better than VASP)
[VASP_FORCE_OPTION]PSTRESS=0                                // Pressure in kBar (1kB=0.1GPa)
#[VASP_FORCE_OPTION]EDIFFG=-0.001                           // EDIFFG for relaxed forces
#[VASP_FORCE_OPTION]ENMAX_MULTIPLY=1.4                      // Multiplication of the max(pseudopotential_cutoffs)
#[VASP_FORCE_OPTION]POTIM=0.5                               // ionic time-step
[VASP_FORCE_OPTION]SPIN=ON,REMOVE_RELAX_2                   // (ON | OFF  (default: DEFAULT_VASP_FORCE_OPTION_SYM in .aflow.rc)), REMOVE_RELAX_1 | _2 (default: DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_1 _2 in .aflow.rc)
#[VASP_FORCE_OPTION]AUTO_MAGMOM=ON                          // ON | OFF (default: DEFAULT_VASP_FORCE_OPTION_AUTO_MAGMOM in .aflow.rc)
[VASP_FORCE_OPTION]RELAX_ALL                                // ALL | IONS | CELL_SHAPE | CELL_VOLUME | IONS_CELL_VOLUME 
[VASP_FORCE_OPTION]RELAX_MODE=ENERGY                        // (ENERGY | FORCES | ENERGY_FORCES | FORCES_ENERGY) (default: DEFAULT_VASP_FORCE_OPTION_RELAX_MODE_SCHEME in .aflow.rc) 
[VASP_FORCE_OPTION]PREC=ACCURATE                            // (LOW | MEDIUM | NORMAL | HIGH | ACCURATE | PHONONS), PRESERVED (default: DEFAULT_VASP_FORCE_OPTION_PREC_SCHEME in .aflow.rc)
[VASP_FORCE_OPTION]ALGO=FAST                                // (NORMAL | VERYFAST | FAST | ALL | DAMPED), PRESERVED (default: DEFAULT_VASP_FORCE_OPTION_ALGO_SCHEME in .aflow.rc)
#[VASP_FORCE_OPTION]METAGGA=NONE                            // (TPSS | RTPSS | M06L | MBJL | SCAN | MS0 | MS1 | MS2 | NONE) (default: DEFAULT_VASP_FORCE_OPTION_METAGGA_SCHEME in .aflow.rc)
#[VASP_FORCE_OPTION]IVDW=0                                  // (number_for_VASP_see_manual_for_IVDW | 0) (default: DEFAULT_VASP_FORCE_OPTION_IVDW_SCHEME in .aflow.rc)
#[VASP_FORCE_OPTION]NOTUNE 
[VASP_FORCE_OPTION]TYPE=DEFAULT                             // (METAL | INSULATOR | SEMICONDUCTOR | DEFAULT) (default DEFAULT) 
[VASP_FORCE_OPTION]CONVERT_UNIT_CELL=SPRIM                  // (SPRIM, SCONV, NIGGLI, MINK, INCELL, COMPACT, WS, CART, FRAC, PRES) 
#[VASP_FORCE_OPTION]VOLUME+=10.0 
#[VASP_FORCE_OPTION]VOLUME*=1.05 
[AFLOW] ************************************************************************************************************************** 
[AFLOW] ************************************************************************************************************************** 
[VASP_INCAR_MODE_EXPLICIT]START 
SYSTEM=CdI.ICSD_42216.AB
#PSTRESS=000       # Pressure in kBar (1kB=0.1GPa)          # for hand modification
#EDIFFG=-0.001     # For relaxed forces                     # for hand modification
#POTIM=-0.001      # default                                # for hand modification
#NBANDS=XX                                                  # for hand modification
#IALGO=48                                                   # for hand modification
[VASP_INCAR_MODE_EXPLICIT]STOP 
[AFLOW] ************************************************************************************************************************** 
[VASP_KPOINTS_MODE_IMPLICIT] 
[VASP_KPOINTS_FILE]KSCHEME=M
[VASP_KPOINTS_FILE]KPPRA=6000
[VASP_KPOINTS_FILE]STATIC_KSCHEME=M
[VASP_KPOINTS_FILE]STATIC_KPPRA=10000
[VASP_KPOINTS_FILE]BANDS_LATTICE=AUTO
[VASP_KPOINTS_FILE]BANDS_GRID=20
[AFLOW] ************************************************************************************************************************** 
[VASP_POSCAR_MODE_EXPLICIT]START 
CdI/ICSD_42216.AB  SG=156 - -  hP24 P3m1 156   (WICKOFF 156 #156) [HEX,HEX,hP24] (STD_PRIM doi:10.1016/j.commatsci.2010.05.010)
-735.980800
   2.12000000000000  -3.67194771204602   0.00000000000000
   2.12000000000000   3.67194771204602   0.00000000000000
   0.00000000000000   0.00000000000000  54.68000000000000
8 16 
Direct(24) [A8B16] 
   0.66670000000000   0.33330000000000   0.03125000000000  Cd    
   0.00000000000000   0.00000000000000   0.15625000000000  Cd    
   0.66670000000000   0.33330000000000   0.28125000000000  Cd    
   0.00000000000000   0.00000000000000   0.40625000000000  Cd    
   0.66670000000000   0.33330000000000   0.53125000000000  Cd    
   0.00000000000000   0.00000000000000   0.65625000000000  Cd    
   0.00000000000000   0.00000000000000   0.78125000000000  Cd    
   0.00000000000000   0.00000000000000   0.90625000000000  Cd    
   0.00000000000000   0.00000000000000   0.00000000000000  I     
   0.33330000000000   0.66670000000000   0.06250000000000  I     
   0.66670000000000   0.33330000000000   0.12500000000000  I     
   0.33330000000000   0.66670000000000   0.18750000000000  I     
   0.00000000000000   0.00000000000000   0.25000000000000  I     
   0.33330000000000   0.66670000000000   0.31250000000000  I     
   0.66670000000000   0.33330000000000   0.37500000000000  I     
   0.33330000000000   0.66670000000000   0.43750000000000  I     
   0.00000000000000   0.00000000000000   0.50000000000000  I     
   0.33330000000000   0.66670000000000   0.56250000000000  I     
   0.66670000000000   0.33330000000000   0.62500000000000  I     
   0.33330000000000   0.66670000000000   0.68750000000000  I     
   0.66670000000000   0.33330000000000   0.75000000000000  I     
   0.33330000000000   0.66670000000000   0.81250000000000  I     
   0.66670000000000   0.33330000000000   0.87500000000000  I     
   0.33330000000000   0.66670000000000   0.93750000000000  I     
[VASP_POSCAR_MODE_EXPLICIT]STOP 
[AFLOW] ************************************************************************************************************************** 
[VASP_POTCAR_MODE_IMPLICIT] 
[VASP_POTCAR_FILE]Cd
[VASP_POTCAR_FILE]I
[AFLOW] potpaw_PBE: Cd I 
[AFLOW] COMPOSITION_PP=|Cd8|I16|
[AFLOW] COMPOSITION=|Cd8|I16|
[AFLOW] VOLUME(A^3)=|22.0408|34.9784|
[AFLOW] MASS(amu)=|112.41|126.9045|
[AFLOW] ************************************************************************************************************************** 
[AFLOW] ************************************************************************************************************************** 
[AFLOW] AFLOW automatically generated (aflow_avasp.cpp) 
[AFLOW] ************************************************************************************************************************** 
[AFLOW] AFLOW V(3.1.228) in ./AFLOWDATA/CdI/ICSD_42216.AB
[AFLOW] ************************************************************************************************************************** 
[AFLOW] SELF-MODIFICATION 
[AFLOW] Recycling CONTCAR of relax1 
[AFLOW] ************************************************************************************************************************** 
[VASP_POSCAR_MODE_EXPLICIT]START
CdI/ICSD_42216.AB  SG=156 - -  hP24 P3m1
1.016396
   2.12792344377282  -3.68568268991581   0.00007111404637
   2.12792344377282   3.68568268991581  -0.00007111404637
   0.00000000000000  -0.00074795404871  59.89024650586934
8 16 
Direct(24) [A8B16] 
   0.66666910490699   0.33333089509301   0.03127689619543 
  -0.00000114849592   0.00000114849592   0.15622180241192 
   0.66666908396764   0.33333091603236   0.28127784598972 
  -0.00000110447795   0.00000110447795   0.40621922852575 
   0.66666914861770   0.33333085138230   0.53128465718040 
   0.00000039933552  -0.00000039933552   0.65624289359467 
  -0.00000021113152   0.00000021113152   0.78128409167486 
  -0.00000123578156   0.00000123578156   0.90619551693665 
   0.00000829941968  -0.00000829941968   0.00291860205245 
   0.33332586578899   0.66667413421101   0.05962504928293 
   0.66667262907052   0.33332737092948   0.12787218249940 
   0.33332501774052   0.66667498225949   0.18457764739225 
   0.00000836729676  -0.00000836729676   0.25292042765302 
   0.33332590100804   0.66667409899196   0.30962799919123 
   0.66667262740660   0.33332737259340   0.37787341019771 
   0.33332508540787   0.66667491459213   0.43457742919793 
   0.00000829714505  -0.00000829714505   0.50291519829735 
   0.33332593202682   0.66667406797318   0.55962204747120 
   0.66667404585579   0.33332595414421   0.62789677992723 
   0.33332662524273   0.66667337475727   0.68460238597434 
   0.66667364616165   0.33332635383835   0.75293301148135 
   0.33332618742016   0.66667381257984   0.80964122975846 
   0.66667254061380   0.33332745938620   0.87784448325474 
   0.33332489545414   0.66667510454586   0.93454918385902 
[VASP_POSCAR_MODE_EXPLICIT]STOP
[AFLOW] ************************************************************************************************************************** 
[AFLOW] SELF-MODIFICATION 
[AFLOW] Recycling CONTCAR of relax2 
[AFLOW] ************************************************************************************************************************** 
[VASP_POSCAR_MODE_EXPLICIT]START
CdI/ICSD_42216.AB  SG=156 - -  hP24 P3m1
1.016396
   2.12560716497456  -3.68184459046926   0.00005703732262
   2.12560716497456   3.68184459046926  -0.00005703732262
   0.00000000000000  -0.00055944897416  58.35675529033983
8 16 
Direct(24) [A8B16] 
   0.66666629605538   0.33333370394462   0.03126727791982 
   0.99999912453822   0.00000087546178   0.15622258250508 
   0.66666644655921   0.33333355344079   0.28126784061651 
   0.99999921105402   0.00000078894598   0.40623461170291 
   0.66666644606935   0.33333355393065   0.53126330334540 
   0.00000076733178   0.99999923266822   0.65626783830576 
  -0.00000006133860   0.00000006133860   0.78128642352187 
   0.99999892502582   0.00000107497418   0.90619011556404 
   0.00001182126021   0.99998817873979   0.00219192512689 
   0.33332465665044   0.66667534334956   0.06034639236131 
   0.66666843932410   0.33333156067590   0.12714536591917 
   0.33332910105553   0.66667089894447   0.18529989578200 
   0.00001224335807   0.99998775664193   0.25219215739375 
   0.33332480521791   0.66667519478209   0.31034667228936 
   0.66666846071751   0.33333153928249   0.37715373649808 
   0.33332900585493   0.66667099414507   0.43530829634957 
   0.00001173244916   0.99998826755084   0.50219094274886 
   0.33332470798069   0.66667529201931   0.56034598804091 
   0.66666942499747   0.33333057500253   0.62718445066018 
   0.33333102352123   0.66666897647877   0.68534260103314 
   0.66666920364759   0.33333079635241   0.75220708906190 
   0.33333026094096   0.66666973905904   0.81036221545855 
   0.66666891706613   0.33333108293387   0.87711424916947 
   0.33332904066292   0.66667095933708   0.93526802862548 
[VASP_POSCAR_MODE_EXPLICIT]STOP
[AFLOW] ************************************************************************************************************************** 
[VASP_POTCAR_AUID]3388a058d6fd344d,7e60ff94db40760b
