vasp
6.1.1
19Jun20 (build Jun 25 2020 02:42:34) complex parallel
Lin64
2021 10 10
08:07:44
Si81N2O160 Meta-GGA MBJLDA GPU
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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
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
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
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
N 3
N 3
type
atomspertype
element
mass
valence
pseudopotential
81Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001
160O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
2N 14.00100000 5.00000000 PAW_PBE N 08Apr2002
14.43600000 0.00000000 0.00000000
-7.21800000 12.50194273 0.00000000
0.00000000 0.00000000 15.98100000
2884.21964114
0.06927127 0.03999378 0.00000000
0.00000000 0.07998757 0.00000000
0.00000000 0.00000000 0.06257431
0.15293676 0.00051923 0.11133101
0.00146942 0.15171548 0.22168938
0.18083416 0.18092267 0.00005415
0.15284255 0.00051767 0.44418001
0.99916438 0.15206644 0.55505642
0.18403892 0.18336946 0.33394886
0.15229081 0.00003659 0.77786740
0.99969436 0.15224549 0.88943669
0.18037726 0.18067254 0.66661435
0.15276042 0.33364720 0.11075771
0.99979769 0.48610801 0.22129429
0.18141349 0.51478794 0.99970403
0.14979056 0.33271301 0.44416459
0.00015496 0.48599524 0.55561885
0.18018758 0.51400489 0.33248145
0.15233980 0.33317957 0.77836397
0.99992445 0.48566481 0.88921993
0.18065948 0.51412227 0.66698965
0.15233454 0.66689782 0.11073301
0.99992678 0.81918823 0.22185062
0.18152111 0.84835881 0.00024565
0.15247913 0.66666253 0.44433335
0.00013231 0.81963629 0.55536861
0.18077117 0.84753665 0.33312095
0.15227238 0.66663990 0.77819537
0.00029197 0.81937330 0.88925025
0.18066468 0.84743426 0.66680890
0.48542986 0.00023381 0.11108020
0.33417991 0.15309212 0.22248697
0.51435354 0.18111231 0.99999233
0.48577206 0.00003163 0.44445499
0.33350100 0.15274102 0.55568744
0.51466394 0.18137579 0.33342245
0.48544839 0.99977661 0.77805110
0.33329643 0.15259361 0.88913703
0.51411654 0.18061476 0.66680236
0.48572245 0.33338567 0.11093644
0.33314143 0.48588103 0.22196820
0.51432038 0.51440581 0.00017803
0.48667963 0.33414547 0.44525352
0.33181316 0.48392967 0.55613196
0.51466602 0.51449826 0.33285016
0.48606911 0.33302078 0.77813923
0.33372441 0.48585304 0.88881448
0.51780955 0.51604132 0.66689283
0.48492421 0.66636920 0.11087926
0.33309203 0.81903843 0.22194322
0.51437597 0.84812776 0.00023961
0.48608167 0.66628575 0.44453233
0.33329741 0.81920006 0.55560679
0.51373141 0.84705602 0.33340275
0.48676299 0.66678413 0.77829924
0.33341055 0.81904792 0.88916965
0.51398520 0.84725384 0.66692573
0.81536024 0.99830531 0.11087463
0.66642201 0.15238240 0.22206545
0.84634347 0.18000160 0.99952666
0.81829505 0.99933791 0.44471044
0.66666722 0.15256547 0.55550392
0.84700614 0.17999369 0.33317859
0.81899284 0.99988884 0.77802966
0.66649355 0.15287222 0.88851149
0.84755430 0.18095599 0.66676085
0.81881343 0.33301568 0.11087000
0.66678267 0.48581397 0.22176225
0.84783398 0.51431979 0.00018496
0.81930105 0.33323526 0.44421764
0.66837639 0.48662773 0.55542834
0.84762784 0.51422998 0.33291540
0.81894829 0.33349445 0.77801995
0.66698189 0.48601774 0.88939202
0.84845910 0.51476766 0.66688187
0.81919903 0.66659046 0.11092732
0.66514457 0.81810743 0.22190593
0.84777321 0.84737778 0.00011574
0.81935837 0.66733434 0.44373144
0.66644110 0.81895105 0.55594238
0.84701296 0.84784765 0.33202902
0.81942822 0.66678298 0.77816901
0.66657224 0.81968830 0.88960089
0.84752511 0.84743474 0.66689527
0.13489834 0.09589595 0.07696680
0.23765427 0.04003445 0.18851672
0.29717938 0.19984376 0.30028722
0.03936759 0.23793078 0.14496852
0.10192797 0.14149232 0.25550265
0.19847293 0.29434983 0.03382277
0.13575535 0.09630811 0.40947379
0.23789980 0.03971391 0.52104769
0.29349305 0.19774309 0.63264800
0.03645373 0.23515549 0.47674723
0.09560299 0.13574535 0.58944734
0.20099685 0.29580655 0.36960220
0.13422821 0.09524636 0.74328815
0.23746003 0.03958954 0.85475360
0.29414479 0.19830250 0.96611809
0.03901126 0.23772968 0.81279050
0.09580291 0.13495152 0.92311923
0.19822099 0.29370206 0.70167402
0.13579793 0.42974261 0.07661396
0.23756363 0.37259594 0.18783353
0.29369878 0.53127050 0.29908398
0.03867927 0.57124156 0.14445066
0.09637373 0.46964157 0.25481205
0.19843136 0.62789184 0.03382496
0.13161951 0.42721013 0.40803865
0.23044672 0.37324401 0.52343493
0.29441914 0.53279266 0.63274557
0.03935077 0.57103883 0.47875639
0.09574161 0.46841817 0.58998799
0.19832572 0.62703782 0.36769611
0.13501827 0.42889338 0.74380920
0.23752074 0.37251242 0.85519469
0.29469914 0.53247717 0.96534862
0.03903586 0.57089833 0.81244583
0.09593003 0.46835704 0.92304959
0.19782195 0.62717627 0.70132263
0.13537603 0.76314221 0.07699529
0.23731133 0.70579505 0.18770382
0.29391410 0.86486061 0.29884445
0.03969587 0.90409396 0.14480770
0.09572813 0.80189385 0.25623812
0.19925144 0.96173504 0.03437221
0.13491616 0.76221397 0.40984226
0.23768090 0.70609812 0.52112110
0.29382157 0.86495688 0.63238776
0.03968981 0.90508377 0.47876729
0.09549811 0.80174555 0.58997771
0.19848344 0.96071097 0.36755297
0.13493036 0.76241347 0.74379216
0.23749323 0.70582459 0.85505203
0.29448397 0.86518198 0.96606715
0.03922834 0.90420724 0.81226465
0.09627517 0.80231661 0.92341404
0.19822350 0.96063182 0.70118868
0.46819386 0.09617838 0.07696018
0.57043162 0.03922713 0.18800716
0.62786178 0.19855428 0.29915342
0.37255324 0.23763525 0.14519916
0.43017114 0.13555398 0.25604150
0.53164280 0.29437063 0.03391829
0.46843882 0.09566239 0.40990282
0.57093568 0.03938431 0.52126989
0.62729151 0.19829279 0.63239571
0.37350398 0.23801318 0.47910483
0.42876600 0.13464300 0.59021335
0.53212498 0.29426052 0.36820790
0.46821719 0.09561675 0.74372968
0.57065503 0.03937823 0.85485138
0.62754672 0.19824878 0.96596312
0.37253846 0.23792725 0.81227297
0.42933106 0.13533400 0.92298898
0.53166056 0.29385863 0.70122833
0.46826663 0.42922655 0.07695163
0.57086329 0.37256610 0.18777239
0.62781264 0.53210628 0.29844460
0.37152015 0.57055350 0.14475768
0.42938216 0.46912183 0.25607148
0.53141121 0.62751929 0.03418464
0.46917847 0.42926903 0.40950459
0.57320315 0.37329128 0.52113628
0.63245674 0.53500293 0.63318685
0.37318635 0.56933807 0.47876632
0.53232050 0.62754267 0.36771149
0.47057887 0.43068415 0.74445320
0.57107447 0.37280282 0.85505393
0.62766004 0.53179518 0.96623834
0.37329306 0.57013277 0.81137703
0.42940572 0.46835031 0.92317547
0.53670572 0.62942530 0.70316191
0.46812126 0.76256875 0.07679769
0.56923614 0.70455696 0.18826190
0.62690317 0.86457937 0.29904552
0.37224178 0.90421097 0.14509255
0.42874713 0.80154208 0.25640884
0.53121366 0.96118604 0.03406732
0.46784828 0.76150448 0.41015244
0.57071301 0.70557342 0.52171163
0.62730037 0.86513871 0.63259306
0.37265380 0.90433803 0.47881288
0.42891929 0.80166387 0.59004082
0.53146051 0.96023015 0.36783864
0.46832380 0.76169386 0.74346419
0.57001113 0.70643789 0.85650020
0.62806465 0.86621964 0.96645876
0.37223736 0.90401319 0.81221130
0.42960878 0.80212177 0.92308904
0.53128858 0.96030754 0.70136289
0.79639848 0.09277323 0.07472987
0.95980516 0.19613814 0.29859994
0.70553837 0.23747864 0.14518300
0.76218130 0.13461173 0.25607805
0.86440470 0.29331586 0.03416166
0.80093072 0.09499728 0.41004597
0.90303854 0.03834223 0.52185551
0.96069310 0.19876743 0.63192621
0.70607717 0.23766004 0.47864224
0.76234710 0.13518877 0.58997516
0.86521997 0.29339958 0.36761752
0.80175412 0.09560200 0.74345034
0.90403818 0.03913051 0.85495172
0.96007309 0.19708373 0.96676622
0.70508524 0.23816705 0.81176816
0.76341700 0.13643941 0.92117545
0.86489286 0.29395410 0.70141411
0.80172905 0.42914962 0.07695887
0.90413057 0.37252531 0.18760074
0.96078353 0.53159913 0.29855003
0.70586611 0.57072070 0.14473304
0.76258088 0.46849283 0.25598896
0.86506850 0.62763668 0.03388271
0.80173955 0.42867007 0.40944403
0.90420507 0.37294804 0.52125669
0.96164587 0.53216166 0.63276764
0.70648463 0.57144102 0.47842531
0.76413292 0.46901795 0.58950350
0.86515296 0.62733565 0.36730182
0.80210694 0.42954090 0.74362590
0.90380701 0.37257811 0.85509810
0.96103230 0.53158696 0.96625642
0.70622349 0.57103897 0.81250074
0.76265737 0.46832719 0.92332448
0.86567053 0.62774364 0.70144498
0.80184477 0.76258637 0.07698467
0.90438537 0.70573681 0.18764490
0.96023915 0.86461184 0.29858418
0.70063939 0.90220337 0.14407820
0.76058883 0.80031361 0.25607225
0.86329511 0.96069163 0.03342708
0.80154237 0.76257890 0.40908155
0.90451406 0.70676095 0.52061172
0.96066948 0.86514693 0.63235875
0.70501487 0.90374882 0.47891093
0.76230703 0.80172210 0.59009805
0.86427771 0.96032123 0.36789359
0.80199192 0.76247711 0.74386712
0.90423771 0.70614057 0.85533154
0.96120885 0.86553681 0.96615375
0.70571213 0.90418651 0.81233462
0.76252209 0.80208326 0.92337647
0.86486512 0.96049244 0.70133782
0.42930801 0.45960330 0.58772219
0.90364668 0.02999928 0.19013714
1.00000000
1987.61432050
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0.00000000
136823.54370632
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0.01165829
26145.41056833
78039.38681502
93679.14469291
93679.13303462
93679.14080681
86152.57204322
86152.59787486
86152.58065376
85140.40376616
85140.38954713
85140.39902648
84981.85050227
84981.85305845
84981.85135433
84953.64122303
84953.64001853
84953.64082153
2.00000000
103395.46803207
103395.49012557
103395.47539657
1.00000000
132456.15779338
132456.16052213
132456.15870296
1.04794701
236748.05590364
236748.04736542
236748.05305757
1.03660888
169837.39502694
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1.00000000
211672.98185323
211673.00371099
211672.98913915
1.00000000
219742.51412864
219742.52130002
219742.51651910
1.00000000
213181.25313630
213181.25982895
213181.25536718
1.00000000
184791.55072884
184791.57830383
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1.00000000
191943.27413468
191943.28971906
191943.27932947
1.00000000
183657.35552116
183657.34688687
183657.35264306
1.00000000
179304.90048187
179304.90312347
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1.00000000
184549.81943702
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1.00000000
175372.74270282
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1.00000000
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1.00000000
146619.53516728
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1.00000000
131375.97771734
131375.97396303
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1.00000000
116176.32936662
116176.33531358
116176.33134894
1.03253414
102055.31241963
102055.34088471
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1.09928522
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1.17309172
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1.25159880
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1.31514030
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