vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2025 05 19
17:02:29
No title
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0
-1
-1
-1
200
1
3
4
0
-30.00000000
-30.00000000
-200.00000000
0
-0.10000000
F
F
F
F
F
F
F
1
1
1
2800
0
-1
-1
0.80000001
1.00000000
0.00000000
0.00000000 0.00000000 0.00000000
0.00000000
0.00000000
0.00000000
F
282
4
ion
element
atomtype
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
type
atomspertype
element
mass
valence
pseudopotential
147Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001
42O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
76H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
17C 12.01100000 4.00000000 PAW_PBE C 08Apr2002
11.60079000 0.00000000 0.00000000
0.00000000 30.46772000 0.00000000
0.00000000 0.00000000 16.40601000
5798.69802481
0.08620103 0.00000000 0.00000000
0.00000000 0.03282162 0.00000000
0.00000000 0.00000000 0.06095327
0.91652290 0.33824257 0.14485506
0.91652290 0.40170203 0.06152173
0.08318957 0.33824257 0.22818839
0.08318957 0.40170203 0.97818839
0.91864744 0.59318719 0.14214605
0.91349921 0.14616057 0.06210192
0.08524253 0.59452958 0.22580521
0.08016300 0.14612878 0.97742613
0.91589363 0.21112523 0.14392085
0.91547564 0.52836443 0.06155352
0.08259231 0.21112016 0.22895834
0.08237122 0.52839978 0.97769462
0.91652290 0.46516149 0.14485506
0.91652290 0.27478311 0.06152173
0.08318957 0.46516149 0.22818839
0.08318957 0.27478311 0.97818839
0.91652290 0.33824257 0.47818839
0.91652290 0.40170203 0.39485506
0.08318957 0.33824257 0.56152173
0.08318957 0.40170203 0.31152173
0.92313642 0.59380562 0.47764779
0.91336687 0.14615194 0.39545165
0.08891629 0.59287695 0.56303275
0.08001821 0.14613640 0.31076746
0.91606579 0.21112623 0.47722571
0.91856877 0.52890895 0.39550632
0.08271265 0.21114242 0.56230065
0.08436739 0.52973920 0.30954454
0.91652290 0.46516149 0.47818839
0.91652290 0.27478311 0.39485506
0.08318957 0.46516149 0.56152173
0.08318957 0.27478311 0.31152173
0.91652290 0.33824257 0.81152173
0.91652290 0.40170203 0.72818839
0.08318957 0.33824257 0.89485506
0.08318957 0.40170203 0.64485506
0.91965069 0.59365203 0.81083446
0.91334993 0.14616097 0.72876984
0.08505951 0.59325674 0.89686024
0.07997413 0.14621147 0.64409972
0.91635235 0.21110906 0.81062980
0.91758554 0.52873250 0.72892009
0.08298801 0.21111925 0.89569909
0.08523768 0.52845235 0.64500231
0.91652290 0.46516149 0.81152173
0.91652290 0.27478311 0.72818839
0.08318957 0.46516149 0.89485506
0.08318957 0.27478311 0.64485506
0.24985623 0.33824257 0.14485506
0.24985623 0.40170203 0.06152173
0.41652290 0.33824257 0.22818839
0.41652290 0.40170203 0.97818839
0.25185188 0.59331649 0.14211451
0.24682265 0.14613987 0.06210115
0.41761018 0.59371731 0.22731783
0.41349015 0.14612736 0.97743192
0.24922416 0.21111612 0.14389912
0.24987508 0.52837315 0.06164721
0.41589238 0.21112993 0.22895800
0.41728049 0.52828523 0.97812237
0.24985623 0.46516149 0.14485506
0.24985623 0.27478311 0.06152173
0.41652290 0.46516149 0.22818839
0.41652290 0.27478311 0.97818839
0.24985623 0.33824257 0.47818839
0.24985623 0.40170203 0.39485506
0.41652290 0.33824257 0.56152173
0.41652290 0.40170203 0.31152173
0.25766323 0.59289671 0.48017605
0.24668278 0.14617007 0.39542048
0.42479263 0.59529628 0.56116940
0.41336297 0.14615270 0.31076326
0.24935865 0.21113802 0.47725376
0.25091062 0.52961673 0.39472721
0.41608107 0.21117039 0.56223174
0.41760489 0.52896706 0.30975992
0.24985623 0.46516149 0.47818839
0.24985623 0.27478311 0.39485506
0.41652290 0.46516149 0.56152173
0.41652290 0.27478311 0.31152173
0.24985623 0.33824257 0.81152173
0.24985623 0.40170203 0.72818839
0.41652290 0.33824257 0.89485506
0.41652290 0.40170203 0.64485506
0.25230849 0.59418421 0.81399679
0.24667940 0.14616776 0.72876787
0.41904282 0.59310994 0.89748319
0.41331757 0.14624877 0.64410452
0.24967757 0.21111013 0.81064849
0.25185225 0.52960634 0.73016543
0.41631682 0.21111635 0.89570408
0.41893592 0.53015473 0.64515041
0.24985623 0.46516149 0.81152173
0.24985623 0.27478311 0.72818839
0.41652290 0.46516149 0.89485506
0.41652290 0.27478311 0.64485506
0.58318957 0.33824257 0.14485506
0.58318957 0.40170203 0.06152173
0.74985623 0.33824257 0.22818839
0.74985623 0.40170203 0.97818839
0.58620418 0.59395024 0.14454708
0.58015143 0.14617161 0.06210895
0.75403351 0.59369690 0.22816489
0.74682230 0.14615007 0.97743446
0.58255723 0.21113437 0.14393781
0.58370554 0.52884534 0.06279922
0.74925598 0.21113254 0.22897164
0.74931835 0.52889464 0.97660001
0.58318957 0.46516149 0.14485506
0.58318957 0.27478311 0.06152173
0.74985623 0.46516149 0.22818839
0.74985623 0.27478311 0.97818839
0.58318957 0.33824257 0.47818839
0.58318957 0.40170203 0.39485506
0.74985623 0.33824257 0.56152173
0.74985623 0.40170203 0.31152173
0.58920628 0.59215551 0.47451033
0.58001905 0.14616684 0.39542805
0.75457091 0.59303556 0.56070197
0.74671213 0.14616268 0.31077975
0.58273844 0.21113017 0.47720175
0.58561777 0.52780383 0.39320656
0.74940537 0.21116415 0.56226509
0.75249269 0.52872959 0.30972550
0.58318957 0.46516149 0.47818839
0.58318957 0.27478311 0.39485506
0.74985623 0.46516149 0.56152173
0.74985623 0.27478311 0.31152173
0.58318957 0.33824257 0.81152173
0.58318957 0.40170203 0.72818839
0.74985623 0.33824257 0.89485506
0.74985623 0.40170203 0.64485506
0.58375434 0.59341590 0.81147171
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0.75190493 0.59395701 0.89450308
0.74665361 0.14624645 0.64408150
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0.74965348 0.21112964 0.89567478
0.75115362 0.52865496 0.64379768
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0.74985623 0.46516149 0.89485506
0.74985623 0.27478311 0.64485506
0.72366658 0.77496848 0.55506247
0.60931547 0.78099427 0.37942520
0.45363602 0.74939314 0.53544127
0.92406137 0.63618037 0.07673333
0.90681933 0.10341838 0.12797218
0.09220180 0.63959017 0.28232954
0.07340216 0.10335968 0.91163365
0.93227788 0.63656143 0.41262269
0.90679037 0.10340401 0.46133722
0.09644810 0.63560929 0.62870887
0.07349328 0.10338492 0.24491035
0.92707784 0.63628238 0.74447600
0.90672448 0.10334156 0.79446155
0.09110876 0.63621761 0.96218677
0.07341354 0.10345411 0.57825767
0.25968893 0.63621073 0.07652052
0.24013850 0.10340916 0.12798195
0.42086800 0.63663914 0.29301033
0.40676878 0.10335680 0.91163796
0.26674474 0.63831531 0.41978579
0.24012321 0.10344453 0.46134786
0.42174247 0.64462269 0.60686078
0.40683604 0.10341356 0.24488301
0.25963580 0.63907787 0.75671352
0.24011439 0.10334273 0.79445180
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0.40676012 0.10351224 0.57820266
0.59311442 0.63652317 0.07833638
0.57350935 0.10344401 0.12800511
0.76402612 0.63635187 0.29373052
0.74006031 0.10337947 0.91164273
0.59309778 0.63556924 0.40942446
0.57346596 0.10342910 0.46133889
0.75725385 0.63523494 0.62820444
0.74020646 0.10343890 0.24485480
0.58699745 0.63620444 0.74478907
0.57342837 0.10332415 0.79440981
0.75835941 0.63679677 0.96014024
0.74005435 0.10351292 0.57818094
0.59501971 0.83364534 0.35342884
0.41518306 0.78609188 0.60356421
0.70727970 0.82455578 0.59262109
0.33277978 0.71204508 0.52979763
0.63739113 0.74964955 0.29943780
0.84728887 0.75872684 0.59596535
0.85899875 0.63850607 0.03671074
0.97215547 0.10113654 0.16776795
0.04365892 0.64098710 0.33188665
0.13867485 0.10104113 0.87181478
0.86960016 0.63861621 0.37088672
0.97206690 0.10117286 0.50121693
0.03267327 0.63792136 0.66972110
0.13879759 0.10114910 0.20506426
0.86169096 0.63834706 0.70473683
0.97198028 0.10106318 0.83431012
0.02574974 0.63854653 0.00214185
0.13871460 0.10121806 0.53841358
0.19384624 0.63875604 0.03702987
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0.35248270 0.63938518 0.32978707
0.47203404 0.10104140 0.87181293
0.28028527 0.66606366 0.44934122
0.30540699 0.10123954 0.50123154
0.37252317 0.66769169 0.58376239
0.47213967 0.10119638 0.20502933
0.20868574 0.64005965 0.70837009
0.30535622 0.10107913 0.83431687
0.36150232 0.63853071 0.00243293
0.47207527 0.10128524 0.53835567
0.52782145 0.63836358 0.03813015
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0.69830015 0.63973018 0.33268081
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0.52684478 0.63756348 0.37043485
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0.69046210 0.63688441 0.66673208
0.80551523 0.10123482 0.20499889
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0.63865979 0.10105571 0.83427987
0.69348811 0.63888918 0.00035151
0.80539705 0.10126284 0.53836547
0.79818871 0.76600512 0.71859657
0.92307319 0.73385803 0.69873436
0.97727335 0.80588800 0.75919877
0.90427262 0.83417988 0.67865734
0.02990511 0.80243400 0.65700609
0.33506759 0.84238344 0.56237365
0.23981389 0.80033454 0.59570054
0.24972894 0.85934768 0.70021576
0.40286559 0.85181820 0.70713627
0.30659125 0.80930008 0.74007228
0.29413122 0.79602091 0.44703834
0.40278632 0.83482987 0.42871885
0.26029978 0.82982167 0.31487552
0.29727238 0.77374644 0.29897886
0.40072943 0.81602018 0.28084915
0.52002955 0.72017771 0.22199636
0.52200002 0.77857768 0.21719570
0.61849763 0.74467898 0.09524546
0.72038252 0.71848187 0.16053943
0.71790629 0.77689809 0.15324913
0.17119142 0.69397149 0.58104829
0.21247293 0.74882475 0.60147881
0.04566523 0.74336090 0.50806277
0.12958753 0.71289405 0.43608705
0.16416725 0.76938887 0.45816477
0.76905064 0.84870572 0.33617986
0.68383359 0.84610016 0.24522816
0.72810282 0.92374264 0.27932651
0.66563197 0.91674407 0.37844931
0.57710996 0.91385733 0.28882216
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F F F
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