Initial positions:
Re -0.2280482 0.1914483 0.4675410
Re 0.2125133 0.1680425 0.4736757
Re 0.4652093 0.5272703 0.4849759
Re 0.0245783 0.5507948 0.4782425
S 0.0023541 0.3065680 0.2013637
S 0.4869904 0.2668226 0.2300148
S -0.0214246 -0.0285853 0.6882562
S 0.5009185 -0.0011255 0.6614865
S 0.2346415 0.4121667 0.7506069
S -0.2493670 0.4524933 0.7224141
S 0.2588152 0.7474468 0.2640032
S -0.2638419 0.7197737 0.2909436
Cell parameters after vc-relax 1:
   0.972204361   0.002676946   0.000587769
  -0.477516718   0.866998134  -0.001776045
  -0.256906712  -0.174414099   0.986330249
Atomic positions after vc-relax 1:
Re -0.2178560 0.1893151 0.4812947
Re 0.2050674 0.1663676 0.4872428
Re 0.4509712 0.5098596 0.4970709
Re 0.0280466 0.5328081 0.4911149
S 0.0039953 0.2992059 0.2214110
S 0.4742297 0.2582290 0.2510620
S -0.0209538 -0.0280592 0.6941952
S 0.4884774 0.0005039 0.6687654
S 0.2291151 0.3999700 0.7569503
S -0.2411167 0.4409528 0.7273001
S 0.2540790 0.7272366 0.2841727
S -0.2553651 0.6986672 0.3095837
Total force = 0.000314
P= 0.38
total cpu time spent up to now is 2802.5 secs
Atomic positions after relax 1:




Initial positions:
Re -0.2280482 0.1914483 0.4675410
Re 0.2125133 0.1680425 0.4736757
Re 0.4652093 0.5272703 0.4849759
Re 0.0245783 0.5507948 0.4782425
S 0.0023541 0.3065680 0.2013637
S 0.4869904 0.2668226 0.2300148
S -0.0214246 -0.0285853 0.6882562
S 0.5009185 -0.0011255 0.6614865
S 0.2346415 0.4121667 0.7506069
S -0.2493670 0.4524933 0.7224141
S 0.2588152 0.7474468 0.2640032
S -0.2638419 0.7197737 0.2909436
Cell parameters after vc-relax 1:
   0.972204361   0.002676946   0.000587769
  -0.477516718   0.866998134  -0.001776045
  -0.256906712  -0.174414099   0.986330249
Atomic positions after vc-relax 1:
Re -0.2178560 0.1893151 0.4812947
Re 0.2050674 0.1663676 0.4872428
Re 0.4509712 0.5098596 0.4970709
Re 0.0280466 0.5328081 0.4911149
S 0.0039953 0.2992059 0.2214110
S 0.4742297 0.2582290 0.2510620
S -0.0209538 -0.0280592 0.6941952
S 0.4884774 0.0005039 0.6687654
S 0.2291151 0.3999700 0.7569503
S -0.2411167 0.4409528 0.7273001
S 0.2540790 0.7272366 0.2841727
S -0.2553651 0.6986672 0.3095837
Total force = 0.000314
P= 0.38
total cpu time spent up to now is 2802.5 secs
Atomic positions after relax 1:




Initial positions:
Re -0.2280482 0.1914483 0.4675410
Re 0.2125133 0.1680425 0.4736757
Re 0.4652093 0.5272703 0.4849759
Re 0.0245783 0.5507948 0.4782425
S 0.0023541 0.3065680 0.2013637
S 0.4869904 0.2668226 0.2300148
S -0.0214246 -0.0285853 0.6882562
S 0.5009185 -0.0011255 0.6614865
S 0.2346415 0.4121667 0.7506069
S -0.2493670 0.4524933 0.7224141
S 0.2588152 0.7474468 0.2640032
S -0.2638419 0.7197737 0.2909436
Cell parameters after vc-relax 1:
   0.972204361   0.002676946   0.000587769
  -0.477516718   0.866998134  -0.001776045
  -0.256906712  -0.174414099   0.986330249
Atomic positions after vc-relax 1:
Re -0.2178560 0.1893151 0.4812947
Re 0.2050674 0.1663676 0.4872428
Re 0.4509712 0.5098596 0.4970709
Re 0.0280466 0.5328081 0.4911149
S 0.0039953 0.2992059 0.2214110
S 0.4742297 0.2582290 0.2510620
S -0.0209538 -0.0280592 0.6941952
S 0.4884774 0.0005039 0.6687654
S 0.2291151 0.3999700 0.7569503
S -0.2411167 0.4409528 0.7273001
S 0.2540790 0.7272366 0.2841727
S -0.2553651 0.6986672 0.3095837
Total force = 0.000314
P= 0.38
total cpu time spent up to now is 2802.5 secs
Atomic positions after relax 1:



total cpu time spent up to now is 6611.2 secs
Initial positions:
Re -0.2280482 0.1914483 0.4675410
Re 0.2125133 0.1680425 0.4736757
Re 0.4652093 0.5272703 0.4849759
Re 0.0245783 0.5507948 0.4782425
S 0.0023541 0.3065680 0.2013637
S 0.4869904 0.2668226 0.2300148
S -0.0214246 -0.0285853 0.6882562
S 0.5009185 -0.0011255 0.6614865
S 0.2346415 0.4121667 0.7506069
S -0.2493670 0.4524933 0.7224141
S 0.2588152 0.7474468 0.2640032
S -0.2638419 0.7197737 0.2909436
Cell parameters after vc-relax 1:
   0.972204361   0.002676946   0.000587769
  -0.477516718   0.866998134  -0.001776045
  -0.256906712  -0.174414099   0.986330249
Atomic positions after vc-relax 1:
Re -0.2178560 0.1893151 0.4812947
Re 0.2050674 0.1663676 0.4872428
Re 0.4509712 0.5098596 0.4970709
Re 0.0280466 0.5328081 0.4911149
S 0.0039953 0.2992059 0.2214110
S 0.4742297 0.2582290 0.2510620
S -0.0209538 -0.0280592 0.6941952
S 0.4884774 0.0005039 0.6687654
S 0.2291151 0.3999700 0.7569503
S -0.2411167 0.4409528 0.7273001
S 0.2540790 0.7272366 0.2841727
S -0.2553651 0.6986672 0.3095837
Total force = 0.000314
P= 0.38
total cpu time spent up to now is 2802.5 secs
Atomic positions after relax 1:
Re      -0.217856000   0.189315100   0.481294700
Re       0.205067400   0.166367600   0.487242800
Re       0.450971200   0.509859600   0.497070900
Re       0.028046600   0.532808100   0.491114900
S        0.003995300   0.299205900   0.221411000
S        0.474229700   0.258229000   0.251062000
S       -0.020953800  -0.028059200   0.694195200
S        0.488477400   0.000503900   0.668765400
S        0.229115100   0.399970000   0.756950300
S       -0.241116700   0.440952800   0.727300100
S        0.254079000   0.727236600   0.284172700
S       -0.255365100   0.698667200   0.309583700
Total force = 0.000312
P= 0.38
total cpu time spent up to now is 99.9 secs
Initial positions:
Re -0.2203635 0.1934763 0.4664724
Re 0.2141942 0.1708371 0.4716272
S 0.0070128 0.3036391 0.1956910
S 0.4917451 0.2596960 0.2265815
S -0.0178320 -0.0310931 0.6869783
S 0.5045360 -0.0015336 0.6613280
Re 0.4676014 0.5202730 0.4828385
Re 0.0330437 0.5429122 0.4776838
S 0.2402250 0.4101101 0.7536200
S -0.2445073 0.4540532 0.7227294
S 0.2650698 0.7448423 0.2623326
S -0.2572982 0.7152829 0.2879830
Cell parameters after vc-relax 1:
   1.000000000   0.000000000   0.000000000
  -0.489093209   0.890356506   0.000000000
  -0.263668957  -0.176607241   0.949310914
Atomic positions after vc-relax 1:
Re -0.2234926 0.1900926 0.4670444
Re 0.2163570 0.1661113 0.4723508
S 0.0064633 0.3046206 0.1988041
S 0.4913270 0.2612366 0.2270008
S -0.0179833 -0.0312249 0.6878056
S 0.5047677 -0.0029699 0.6618117
Re 0.4707304 0.5236567 0.4822666
Re 0.0308808 0.5476380 0.4769602
S 0.2407745 0.4091287 0.7505069
S -0.2440892 0.4525127 0.7223101
S 0.2652212 0.7449741 0.2615053
S -0.2575298 0.7167192 0.2874993
Total force = 0.000207

total cpu time spent up to now is 12298.4 secs
Atomic positions after relax 1:
Re      -0.223492600   0.190092600   0.467044400
Re       0.216357000   0.166111300   0.472350800
S        0.006463300   0.304620600   0.198804100
S        0.491327000   0.261236600   0.227000800
S       -0.017983300  -0.031224900   0.687805600
S        0.504767700  -0.002969900   0.661811700
Re       0.470730400   0.523656700   0.482266600
Re       0.030880800   0.547638000   0.476960200
S        0.240774500   0.409128700   0.750506900
S       -0.244089200   0.452512700   0.722310100
S        0.265221200   0.744974100   0.261505300
S       -0.257529800   0.716719200   0.287499300
Total force = 0.000207

total cpu time spent up to now is 1367.1 secs
Initial positions:
Re -0.2201450 0.1938588 0.4653441
Re 0.2144235 0.1712086 0.4704864
S 0.0070292 0.3039366 0.1952176
S 0.4917952 0.2599839 0.2260335
S -0.0174032 -0.0307244 0.6853166
S 0.5049392 -0.0011612 0.6597283
Re 0.4677193 0.5208661 0.4816706
Re 0.0331508 0.5435162 0.4765283
S 0.2405451 0.4107882 0.7517971
S -0.2442208 0.4547409 0.7209812
S 0.2649775 0.7454492 0.2616980
S -0.2573648 0.7158860 0.2872864
Cell parameters after vc-relax 1:
   1.000000000   0.000000000   0.000000000
  -0.489394445   0.890904882   0.000000000
  -0.263031179  -0.176180053   0.947014666
Atomic positions after vc-relax 1:
Re -0.2231351 0.1905431 0.4659151
Re 0.2164792 0.1665982 0.4712113
S 0.0067002 0.3051002 0.1987598
S 0.4915492 0.2618018 0.2270197
S -0.0177374 -0.0308410 0.6855415
S 0.5050506 -0.0026517 0.6593934
Re 0.4707095 0.5241817 0.4810995
Re 0.0310952 0.5481266 0.4758034
S 0.2408742 0.4096246 0.7482549
S -0.2439749 0.4529230 0.7199950
S 0.2653118 0.7455659 0.2614732
S -0.2574763 0.7173765 0.2876213
Total force = 0.000218

total cpu time spent up to now is 12189.6 secs
Atomic positions after relax 1:
Re      -0.223135100   0.190543100   0.465915100
Re       0.216479200   0.166598200   0.471211300
S        0.006700200   0.305100200   0.198759800
S        0.491549200   0.261801800   0.227019700
S       -0.017737400  -0.030841000   0.685541500
S        0.505050600  -0.002651700   0.659393400
Re       0.470709500   0.524181700   0.481099500
Re       0.031095200   0.548126600   0.475803400
S        0.240874200   0.409624600   0.748254900
S       -0.243974900   0.452923000   0.719995000
S        0.265311800   0.745565900   0.261473200
S       -0.257476300   0.717376500   0.287621300
Total force = 0.000220

total cpu time spent up to now is 1381.7 secs
Atomic positions after relax 1:
Re      -0.223054213   0.190572586   0.465902717
Re       0.216436422   0.166653797   0.471202506
S        0.006714263   0.305080486   0.199419227
S        0.491544189   0.261906405   0.227705461
S       -0.017713451  -0.030714665   0.684890137
S        0.505062954  -0.002598470   0.658678682
Re       0.470628613   0.524152214   0.481111883
Re       0.031137978   0.548071003   0.475812194
S        0.240860137   0.409644314   0.747595473
S       -0.243969889   0.452818395   0.719309239
S        0.265287851   0.745439565   0.262124563
S       -0.257488654   0.717323270   0.288336018
Total force = 0.000284

total cpu time spent up to now is 11867.0 secs
Atomic positions after relax 1:
Re      -0.223054213   0.190572586   0.465902717
Re       0.216436422   0.166653797   0.471202506
S        0.006714263   0.305080486   0.199419227
S        0.491544189   0.261906405   0.227705461
S       -0.017713451  -0.030714665   0.684890137
S        0.505062954  -0.002598470   0.658678682
Re       0.470628613   0.524152214   0.481111883
Re       0.031137978   0.548071003   0.475812194
S        0.240860137   0.409644314   0.747595473
S       -0.243969889   0.452818395   0.719309239
S        0.265287851   0.745439565   0.262124563
S       -0.257488654   0.717323270   0.288336018
Total force = 0.000289

total cpu time spent up to now is 5629.9 secs
