N E dE d eps ncg rms rms(c) DAV: 1 0.600310195941E+04 0.60031E+04 -0.27457E+05 1408 0.163E+03 DAV: 2 0.241729490931E+03 -0.57614E+04 -0.55934E+04 1920 0.358E+02 DAV: 3 -0.722666005637E+03 -0.96440E+03 -0.96097E+03 1728 0.148E+02 DAV: 4 -0.748845851484E+03 -0.26180E+02 -0.26092E+02 1856 0.277E+01 DAV: 5 -0.749957112450E+03 -0.11113E+01 -0.11107E+01 2336 0.409E+00 0.125E+02 DAV: 6 -0.669740359276E+03 0.80217E+02 -0.36234E+02 1728 0.295E+01 0.746E+01 DAV: 7 -0.668946019062E+03 0.79434E+00 -0.21372E+01 1824 0.786E+00 0.128E+01 DAV: 8 -0.668668017794E+03 0.27800E+00 -0.12066E+00 1920 0.228E+00 0.395E+00 DAV: 9 -0.668568411656E+03 0.99606E-01 -0.28231E-01 1696 0.122E+00 0.121E+00 DAV: 10 -0.668533297155E+03 0.35115E-01 -0.79037E-02 1824 0.751E-01 0.572E-01 DAV: 11 -0.668518081091E+03 0.15216E-01 -0.26724E-02 1760 0.436E-01 0.305E-01 DAV: 12 -0.668508546857E+03 0.95342E-02 -0.10900E-02 1824 0.315E-01 0.154E-01 DAV: 13 -0.668506758270E+03 0.17886E-02 -0.64392E-03 1792 0.244E-01 0.107E-01 DAV: 14 -0.668508680247E+03 -0.19220E-02 -0.50195E-03 1664 0.237E-01 0.548E-02 DAV: 15 -0.668510992318E+03 -0.23121E-02 -0.34556E-03 1760 0.113E-01 0.702E-02 DAV: 16 -0.668511632970E+03 -0.64065E-03 -0.24467E-04 1856 0.275E-02 0.532E-02 DAV: 17 -0.668513118704E+03 -0.14857E-02 -0.16679E-04 1600 0.219E-02 0.237E-02 DAV: 18 -0.668514344373E+03 -0.12257E-02 -0.10413E-04 1664 0.190E-02 0.181E-02 DAV: 19 -0.668515092004E+03 -0.74763E-03 -0.61107E-05 1536 0.145E-02 0.137E-02 DAV: 20 -0.668515897639E+03 -0.80564E-03 -0.39115E-05 1504 0.105E-02 0.688E-03 DAV: 21 -0.668516309167E+03 -0.41153E-03 -0.14554E-05 1344 0.607E-03 0.517E-03 DAV: 22 -0.668516665814E+03 -0.35665E-03 -0.15565E-05 1376 0.664E-03 0.338E-03 DAV: 23 -0.668516799295E+03 -0.13348E-03 -0.26930E-06 1184 0.337E-03 0.210E-03 DAV: 24 -0.668516892511E+03 -0.93216E-04 -0.25371E-06 1120 0.247E-03 0.122E-03 DAV: 25 -0.668516930435E+03 -0.37924E-04 -0.40976E-07 1184 0.149E-03 0.809E-04 DAV: 26 -0.668516949289E+03 -0.18855E-04 0.20194E-07 1152 0.102E-03 0.666E-04 DAV: 27 -0.668516958463E+03 -0.91733E-05 0.50204E-07 1184 0.695E-04 1 F= -.67760220E+03 E0= -.67760220E+03 d E =-.677602E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668516494446E+03 0.45484E-03 -0.77232E-01 1536 0.164E+00 0.485E-01 DAV: 2 -0.668517990035E+03 -0.14956E-02 -0.20404E-02 1760 0.254E-01 0.195E-01 DAV: 3 -0.668517748893E+03 0.24114E-03 -0.70528E-04 1664 0.554E-02 0.104E-01 DAV: 4 -0.668517684541E+03 0.64352E-04 -0.46315E-04 1696 0.439E-02 0.324E-02 DAV: 5 -0.668517677868E+03 0.66732E-05 -0.84226E-05 1760 0.207E-02 2 F= -.67760273E+03 E0= -.67760273E+03 d E =-.536028E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668517940802E+03 -0.25626E-03 -0.13040E-01 1536 0.675E-01 0.194E-01 DAV: 2 -0.668518180463E+03 -0.23966E-03 -0.33706E-03 1728 0.104E-01 0.807E-02 DAV: 3 -0.668518141652E+03 0.38812E-04 -0.12506E-04 1696 0.228E-02 0.434E-02 DAV: 4 -0.668518134749E+03 0.69032E-05 -0.77329E-05 1632 0.176E-02 3 F= -.67760326E+03 E0= -.67760326E+03 d E =-.106852E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668518571878E+03 -0.43023E-03 -0.26622E-01 1536 0.946E-01 0.231E-01 DAV: 2 -0.668519056615E+03 -0.48474E-03 -0.64237E-03 1728 0.139E-01 0.843E-02 DAV: 3 -0.668519002351E+03 0.54264E-04 -0.21918E-04 1728 0.289E-02 0.433E-02 DAV: 4 -0.668518986971E+03 0.15381E-04 -0.11301E-04 1632 0.207E-02 0.171E-02 DAV: 5 -0.668518985183E+03 0.17873E-05 -0.13377E-05 1408 0.951E-03 4 F= -.67760424E+03 E0= -.67760424E+03 d E =-.974446E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668518952417E+03 0.34553E-04 -0.15472E-02 1600 0.228E-01 0.585E-02 DAV: 2 -0.668518982398E+03 -0.29981E-04 -0.39075E-04 1728 0.340E-02 0.209E-02 DAV: 3 -0.668518978761E+03 0.36372E-05 -0.10269E-05 1280 0.730E-03 5 F= -.67760426E+03 E0= -.67760426E+03 d E =-.997697E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668518996230E+03 -0.13832E-04 -0.23314E-01 1536 0.885E-01 0.209E-01 DAV: 2 -0.668519476437E+03 -0.48021E-03 -0.57566E-03 1600 0.133E-01 0.912E-02 DAV: 3 -0.668519430438E+03 0.46000E-04 -0.19519E-04 1760 0.291E-02 0.470E-02 DAV: 4 -0.668519420781E+03 0.96568E-05 -0.74371E-05 1664 0.181E-02 6 F= -.67760490E+03 E0= -.67760490E+03 d E =-.643497E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668519427623E+03 0.28143E-05 -0.61829E-04 1632 0.463E-02 0.961E-03 DAV: 2 -0.668519429292E+03 -0.16685E-05 -0.16025E-05 1344 0.751E-03 7 F= -.67760490E+03 E0= -.67760490E+03 d E =-.641658E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668519688555E+03 -0.26093E-03 -0.23300E-01 1536 0.885E-01 0.170E-01 DAV: 2 -0.668520139783E+03 -0.45123E-03 -0.52939E-03 1600 0.128E-01 0.775E-02 DAV: 3 -0.668520101546E+03 0.38237E-04 -0.13530E-04 1792 0.240E-02 0.463E-02 DAV: 4 -0.668520090430E+03 0.11115E-04 -0.99322E-05 1600 0.213E-02 0.129E-02 DAV: 5 -0.668520090509E+03 -0.78297E-07 -0.17525E-05 1440 0.940E-03 8 F= -.67760570E+03 E0= -.67760570E+03 d E =-.798309E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668519937250E+03 0.15318E-03 -0.14284E-01 1536 0.693E-01 0.136E-01 DAV: 2 -0.668520216732E+03 -0.27948E-03 -0.32702E-03 1600 0.100E-01 0.614E-02 DAV: 3 -0.668520192712E+03 0.24020E-04 -0.81772E-05 1792 0.190E-02 0.364E-02 DAV: 4 -0.668520186075E+03 0.66378E-05 -0.61787E-05 1600 0.170E-02 9 F= -.67760590E+03 E0= -.67760590E+03 d E =-.999788E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668520499789E+03 -0.30708E-03 -0.10033E-01 1536 0.573E-01 0.102E-01 DAV: 2 -0.668520700389E+03 -0.20060E-03 -0.23658E-03 1600 0.845E-02 0.432E-02 DAV: 3 -0.668520687218E+03 0.13171E-04 -0.60211E-05 1792 0.162E-02 0.253E-02 DAV: 4 -0.668520683924E+03 0.32937E-05 -0.31367E-05 1600 0.114E-02 10 F= -.67760642E+03 E0= -.67760642E+03 d E =-.512150E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668520817233E+03 -0.13002E-03 -0.39120E-02 1536 0.358E-01 0.652E-02 DAV: 2 -0.668520894319E+03 -0.77086E-04 -0.91405E-04 1568 0.525E-02 0.290E-02 DAV: 3 -0.668520888289E+03 0.60306E-05 -0.22168E-05 1568 0.103E-02 11 F= -.67760663E+03 E0= -.67760663E+03 d E =-.724950E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668520765054E+03 0.12926E-03 -0.15506E-01 1472 0.712E-01 0.128E-01 DAV: 2 -0.668521060095E+03 -0.29504E-03 -0.35085E-03 1536 0.103E-01 0.556E-02 DAV: 3 -0.668521039565E+03 0.20530E-04 -0.92349E-05 1824 0.196E-02 0.324E-02 DAV: 4 -0.668521033166E+03 0.63994E-05 -0.46280E-05 1568 0.140E-02 12 F= -.67760679E+03 E0= -.67760679E+03 d E =-.885491E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668521237072E+03 -0.19751E-03 -0.12812E-01 1536 0.640E-01 0.111E-01 DAV: 2 -0.668521502364E+03 -0.26529E-03 -0.29851E-03 1568 0.933E-02 0.523E-02 DAV: 3 -0.668521485232E+03 0.17132E-04 -0.71189E-05 1728 0.176E-02 0.293E-02 DAV: 4 -0.668521483414E+03 0.18176E-05 -0.54302E-05 1504 0.145E-02 13 F= -.67760738E+03 E0= -.67760738E+03 d E =-.589816E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668520353592E+03 0.11316E-02 -0.79836E-01 1408 0.160E+00 0.278E-01 DAV: 2 -0.668522025542E+03 -0.16719E-02 -0.18704E-02 1600 0.234E-01 0.129E-01 DAV: 3 -0.668521914182E+03 0.11136E-03 -0.44417E-04 1792 0.436E-02 0.724E-02 DAV: 4 -0.668521892168E+03 0.22014E-04 -0.33940E-04 1600 0.362E-02 0.260E-02 DAV: 5 -0.668521889068E+03 0.31003E-05 -0.63957E-05 1760 0.166E-02 14 F= -.67760813E+03 E0= -.67760813E+03 d E =-.134073E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668522287582E+03 -0.39541E-03 -0.14396E-01 1472 0.678E-01 0.102E-01 DAV: 2 -0.668522583580E+03 -0.29600E-03 -0.33661E-03 1600 0.986E-02 0.466E-02 DAV: 3 -0.668522567303E+03 0.16277E-04 -0.79536E-05 1728 0.182E-02 0.282E-02 DAV: 4 -0.668522564701E+03 0.26013E-05 -0.63143E-05 1632 0.158E-02 15 F= -.67760891E+03 E0= -.67760891E+03 d E =-.779908E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668521524441E+03 0.10429E-02 -0.11288E+00 1408 0.190E+00 0.284E-01 DAV: 2 -0.668523829201E+03 -0.23048E-02 -0.26317E-02 1600 0.276E-01 0.133E-01 DAV: 3 -0.668523685825E+03 0.14338E-03 -0.64708E-04 1728 0.511E-02 0.803E-02 DAV: 4 -0.668523646181E+03 0.39644E-04 -0.51533E-04 1664 0.448E-02 0.328E-02 DAV: 5 -0.668523641374E+03 0.48065E-05 -0.95517E-05 1760 0.204E-02 16 F= -.67761027E+03 E0= -.67761027E+03 d E =-.214440E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668513748752E+03 0.98974E-02 -0.45058E+00 1408 0.379E+00 0.567E-01 DAV: 2 -0.668523032579E+03 -0.92838E-02 -0.10513E-01 1600 0.550E-01 0.262E-01 DAV: 3 -0.668522463955E+03 0.56862E-03 -0.25437E-03 1792 0.101E-01 0.158E-01 DAV: 4 -0.668522297166E+03 0.16679E-03 -0.20075E-03 1632 0.883E-02 0.641E-02 DAV: 5 -0.668522277048E+03 0.20118E-04 -0.37160E-04 1792 0.401E-02 0.309E-02 DAV: 6 -0.668522282411E+03 -0.53628E-05 -0.91310E-05 1568 0.168E-02 17 F= -.67760947E+03 E0= -.67760947E+03 d E =-.134489E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668519868574E+03 0.24085E-02 -0.20704E+00 1408 0.257E+00 0.374E-01 DAV: 2 -0.668524055242E+03 -0.41867E-02 -0.47433E-02 1600 0.371E-01 0.179E-01 DAV: 3 -0.668523801373E+03 0.25387E-03 -0.11468E-03 1760 0.675E-02 0.109E-01 DAV: 4 -0.668523724361E+03 0.77012E-04 -0.92225E-04 1600 0.602E-02 0.431E-02 DAV: 5 -0.668523717238E+03 0.71237E-05 -0.16950E-04 1760 0.271E-02 0.210E-02 DAV: 6 -0.668523719532E+03 -0.22949E-05 -0.40988E-05 1568 0.112E-02 18 F= -.67761053E+03 E0= -.67761053E+03 d E =-.240502E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668523990356E+03 -0.27312E-03 -0.14191E-01 1472 0.670E-01 0.102E-01 DAV: 2 -0.668524279104E+03 -0.28875E-03 -0.32922E-03 1600 0.966E-02 0.495E-02 DAV: 3 -0.668524261661E+03 0.17442E-04 -0.78113E-05 1792 0.180E-02 0.298E-02 DAV: 4 -0.668524258076E+03 0.35852E-05 -0.59926E-05 1632 0.152E-02 19 F= -.67761109E+03 E0= -.67761109E+03 d E =-.560629E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668523873920E+03 0.38774E-03 -0.58618E-01 1408 0.136E+00 0.214E-01 DAV: 2 -0.668525092567E+03 -0.12186E-02 -0.13827E-02 1600 0.197E-01 0.101E-01 DAV: 3 -0.668525020528E+03 0.72039E-04 -0.33225E-04 1792 0.373E-02 0.608E-02 DAV: 4 -0.668525006114E+03 0.14414E-04 -0.25707E-04 1632 0.312E-02 0.250E-02 DAV: 5 -0.668525003464E+03 0.26503E-05 -0.52418E-05 1696 0.154E-02 20 F= -.67761188E+03 E0= -.67761188E+03 d E =-.134896E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668520567805E+03 0.44383E-02 -0.23381E+00 1408 0.272E+00 0.424E-01 DAV: 2 -0.668525458475E+03 -0.48907E-02 -0.54936E-02 1600 0.393E-01 0.197E-01 DAV: 3 -0.668525180415E+03 0.27806E-03 -0.12861E-03 1792 0.727E-02 0.119E-01 DAV: 4 -0.668525116478E+03 0.63937E-04 -0.97349E-04 1664 0.608E-02 0.483E-02 DAV: 5 -0.668525105723E+03 0.10754E-04 -0.19734E-04 1728 0.297E-02 0.208E-02 DAV: 6 -0.668525111185E+03 -0.54613E-05 -0.40993E-05 1504 0.112E-02 21 F= -.67761207E+03 E0= -.67761207E+03 d E =-.153533E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668524484570E+03 0.62115E-03 -0.42518E-01 1408 0.116E+00 0.177E-01 DAV: 2 -0.668525361362E+03 -0.87679E-03 -0.98859E-03 1600 0.167E-01 0.846E-02 DAV: 3 -0.668525310749E+03 0.50613E-04 -0.23365E-04 1792 0.310E-02 0.514E-02 DAV: 4 -0.668525301089E+03 0.96606E-05 -0.18042E-04 1664 0.262E-02 0.207E-02 DAV: 5 -0.668525299933E+03 0.11561E-05 -0.35019E-05 1696 0.127E-02 22 F= -.67761223E+03 E0= -.67761223E+03 d E =-.169170E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.668525535766E+03 -0.23468E-03 -0.15691E-01 1408 0.700E-01 0.104E-01 DAV: 2 -0.668525857947E+03 -0.32218E-03 -0.35872E-03 1568 0.100E-01 0.502E-02 DAV: 3 -0.668525837735E+03 0.20212E-04 -0.75374E-05 1760 0.178E-02 0.309E-02 DAV: 4 -0.668525832301E+03 0.54345E-05 -0.69506E-05 1600 0.174E-02 23 F= -.67761288E+03 E0= -.67761288E+03 d E =-.651253E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668525933685E+03 -0.95950E-04 -0.65853E-02 1472 0.453E-01 0.711E-02 DAV: 2 -0.668526069140E+03 -0.13545E-03 -0.15571E-03 1600 0.658E-02 0.337E-02 DAV: 3 -0.668526060469E+03 0.86707E-05 -0.34207E-05 1696 0.126E-02 24 F= -.67761318E+03 E0= -.67761318E+03 d E =-.956192E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.668525778326E+03 0.29081E-03 -0.25934E-01 1408 0.901E-01 0.139E-01 DAV: 2 -0.668526290533E+03 -0.51221E-03 -0.58052E-03 1568 0.128E-01 0.651E-02 DAV: 3 -0.668526260574E+03 0.29959E-04 -0.13051E-04 1824 0.231E-02 0.397E-02 DAV: 4 -0.668526251678E+03 0.88965E-05 -0.10745E-04 1600 0.221E-02 0.139E-02 DAV: 5 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