shell1_X0_Y0_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 3.680159919816024 1	-2.5011349360677193 -2.5006658860851565 -2.500843014862381 -2.4569185231307133 -2.499635309131066 -2.495032534095081
shell1_X0_Y-1_Z0_mono3_fix1//test20tig_AVQZ/ DONE 3.680159919816024 1	-2.5011349360677193 -2.5006658860851565 -2.500843014862381 -2.4569185231307133 -2.499635309131066 -2.495032534095081
shell1_X0_Y-1_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 3.680159919816024 1	-2.5011349360677193 -2.5006658860851565 -2.500843014862381 -2.4569185231307133 -2.499635309131066 -2.495032534095081
shell1_X-1_Y0_Z0_mono2_fix1//test20tig_AVQZ/ DONE 3.680159919816024 1	-2.5011349360677193 -2.5006658860851565 -2.500843014862381 -2.4569185231307133 -2.499635309131066 -2.495032534095081
shell1_X-1_Y0_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 3.680159919816024 1	-2.5011349360677193 -2.5006658860851565 -2.500843014862381 -2.4569185231307133 -2.499635309131066 -2.495032534095081
shell1_X-1_Y-1_Z0_mono2_fix1//test20tig_AVQZ/ DONE 3.680159919816024 1	-2.5011349360677193 -2.5006658860851565 -2.500843014862381 -2.4569185231307133 -2.499635309131066 -2.495032534095081
shell1_X0_Y0_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 3.82265354358343 1	-1.0363726059375789 -1.0363683845938725 -1.0365956221648482 -1.0492747844401942 -1.0406749149863037 -1.037912161951215
shell1_X-1_Y0_Z0_mono1_fix1//test20tig_AVQZ/ DONE 3.82265354358343 1	-1.0363726059375789 -1.0363683845938725 -1.0365956221648482 -1.0492747844401942 -1.0406749149863037 -1.037912161951215
shell1_X0_Y-1_Z0_mono2_fix1//test20tig_AVQZ/ DONE 3.82265354358343 1	-1.0363726059375789 -1.0363683845938725 -1.0365956221648482 -1.0492747844401942 -1.0406749149863037 -1.037912161951215
shell1_X0_Y0_Z1_mono0_fix1//test20tig_AVQZ/ DONE 5.217106832951 1	-0.18356161743289306 -0.18450846488218553 -0.18463380154828749 -0.18416334449926625 -0.1850926988217295 -0.18473629575782868
shell1_X0_Y-1_Z0_mono0_fix1//test20tig_AVQZ/ DONE 5.217106832951 1	-0.18356161743289306 -0.18450846488218553 -0.18463380154828749 -0.18416334449926625 -0.1850926988217295 -0.18473629575782868
shell1_X0_Y0_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 5.217106832951 1	-0.18356161743289306 -0.18450846488218553 -0.18463380154828749 -0.18416334449926625 -0.1850926988217295 -0.18473629575782868
shell1_X0_Y1_Z0_mono0_fix1//test20tig_AVQZ/ DONE 5.217106832951 1	-0.18356161743289306 -0.18450846488218553 -0.18463380154828749 -0.18416334449926625 -0.1850926988217295 -0.18473629575782868
shell1_X-1_Y0_Z0_mono0_fix1//test20tig_AVQZ/ DONE 5.217106832951 1	-0.18356161743289306 -0.18450846488218553 -0.18463380154828749 -0.18416334449926625 -0.1850926988217295 -0.18473629575782868
shell1_X1_Y0_Z0_mono0_fix1//test20tig_AVQZ/ DONE 5.217106832951 1	-0.18356161743289306 -0.18450846488218553 -0.18463380154828749 -0.18416334449926625 -0.1850926988217295 -0.18473629575782868
shell1_X0_Y-1_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 6.248973180342696 1	-0.0949565389758934 -0.096000102604649 -0.09611871235003011 -0.1013754594339556 -0.09680800452721366 -0.09692334072065967
shell1_X-1_Y-1_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 6.248973180342696 1	-0.0949565389758934 -0.096000102604649 -0.09611871235003011 -0.1013754594339556 -0.09680800452721366 -0.09692334072065967
shell1_X-1_Y0_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 6.248973180342696 1	-0.0949565389758934 -0.096000102604649 -0.09611871235003011 -0.1013754594339556 -0.09680800452721366 -0.09692334072065967
shell1_X-1_Y-1_Z0_mono3_fix1//test20tig_AVQZ/ DONE 6.248973180342696 1	-0.0949565389758934 -0.096000102604649 -0.09611871235003011 -0.1013754594339556 -0.09680800452721366 -0.09692334072065967
shell1_X-1_Y-1_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 6.248973180342696 1	-0.0949565389758934 -0.096000102604649 -0.09611871235003011 -0.1013754594339556 -0.09680800452721366 -0.09692334072065967
shell1_X-1_Y-1_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 6.248973180342696 1	-0.0949565389758934 -0.096000102604649 -0.09611871235003011 -0.1013754594339556 -0.09680800452721366 -0.09692334072065967
shell1_X0_Y-1_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 6.304700951572119 1	-0.03576823411814452 -0.03582204819324206 -0.03602135866131221 -0.03307634146679474 -0.03570844168262238 -0.035754304376656935
shell1_X0_Y0_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 6.304700951572119 1	-0.03576823411814452 -0.03582204819324206 -0.03602135866131221 -0.03307634146679474 -0.03570844168262238 -0.035754304376656935
shell1_X-1_Y0_Z0_mono3_fix1//test20tig_AVQZ/ DONE 6.304700951572119 1	-0.03576823411814452 -0.03582204819324206 -0.03602135866131221 -0.03307634146679474 -0.03570844168262238 -0.035754304376656935
shell1_X-1_Y0_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 6.304700951572119 1	-0.03576823411814452 -0.03582204819324206 -0.03602135866131221 -0.03307634146679474 -0.03570844168262238 -0.035754304376656935
shell1_X0_Y-1_Z0_mono1_fix1//test20tig_AVQZ/ DONE 6.304700951572119 1	-0.03576823411814452 -0.03582204819324206 -0.03602135866131221 -0.03307634146679474 -0.03570844168262238 -0.035754304376656935
shell1_X-1_Y-1_Z0_mono1_fix1//test20tig_AVQZ/ DONE 6.304700951572119 1	-0.03576823411814452 -0.03582204819324206 -0.03602135866131221 -0.03307634146679474 -0.03570844168262238 -0.035754304376656935
shell1_X-1_Y-1_Z1_mono2_fix1//test20tig_AVQZ/ DONE 6.385465089697607 1	-0.03191221248865352 -0.03202140117933332 -0.03208000900189086 -0.0320541433916479 -0.03209333978382598 -0.03211049884287188
shell1_X-1_Y1_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 6.385465089697607 1	-0.03191221248865352 -0.03202140117933332 -0.03208000900189086 -0.0320541433916479 -0.03209333978382598 -0.03211049884287188
shell1_X0_Y1_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 6.385465089697607 1	-0.03191221248865352 -0.03202140117933332 -0.03208000900189086 -0.0320541433916479 -0.03209333978382598 -0.03211049884287188
shell1_X-1_Y0_Z1_mono2_fix1//test20tig_AVQZ/ DONE 6.385465089697607 1	-0.03191221248865352 -0.03202140117933332 -0.03208000900189086 -0.0320541433916479 -0.03209333978382598 -0.03211049884287188
shell1_X1_Y-1_Z0_mono3_fix1//test20tig_AVQZ/ DONE 6.385465089697607 1	-0.03191221248865352 -0.03202140117933332 -0.03208000900189086 -0.0320541433916479 -0.03209333978382598 -0.03211049884287188
shell1_X1_Y-1_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 6.385465089697607 1	-0.03191221248865352 -0.03202140117933332 -0.03208000900189086 -0.0320541433916479 -0.03209333978382598 -0.03211049884287188
shell1_X0_Y0_Z1_mono2_fix1//test20tig_AVQZ/ DONE 6.480035993823138 1	-0.05905338076743054 -0.059451413573416614 -0.05955615848963262 -0.06262255958502519 -0.05983323917080996 -0.05998107020406369
shell1_X0_Y1_Z0_mono1_fix1//test20tig_AVQZ/ DONE 6.480035993823138 1	-0.05905338076743054 -0.059451413573416614 -0.05955615848963262 -0.06262255958502519 -0.05983323917080996 -0.05998107020406369
shell1_X-1_Y1_Z0_mono1_fix1//test20tig_AVQZ/ DONE 6.480035993823138 1	-0.05905338076743054 -0.059451413573416614 -0.05955615848963262 -0.06262255958502519 -0.05983323917080996 -0.05998107020406369
shell1_X0_Y-1_Z1_mono2_fix1//test20tig_AVQZ/ DONE 6.480035993823138 1	-0.05905338076743054 -0.059451413573416614 -0.05955615848963262 -0.06262255958502519 -0.05983323917080996 -0.05998107020406369
shell1_X1_Y0_Z0_mono3_fix1//test20tig_AVQZ/ DONE 6.480035993823138 1	-0.05905338076743054 -0.059451413573416614 -0.05955615848963262 -0.06262255958502519 -0.05983323917080996 -0.05998107020406369
shell1_X1_Y0_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 6.480035993823138 1	-0.05905338076743054 -0.059451413573416614 -0.05955615848963262 -0.06262255958502519 -0.05983323917080996 -0.05998107020406369
shell1_X0_Y1_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 7.303103713627025 1	-0.03405245747474529 -0.034261902942248686 -0.034227379518708835 -0.03724327161873553 -0.034540719938494946 -0.034586865192218014
shell1_X1_Y0_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 7.303103713627025 1	-0.03405245747474529 -0.034261902942248686 -0.034227379518708835 -0.03724327161873553 -0.034540719938494946 -0.034586865192218014
shell1_X-1_Y1_Z0_mono0_fix1//test20tig_AVQZ/ DONE 7.303103713627025 1	-0.03405245747474529 -0.034261902942248686 -0.034227379518708835 -0.03724327161873553 -0.034540719938494946 -0.034586865192218014
shell1_X1_Y-1_Z0_mono0_fix1//test20tig_AVQZ/ DONE 7.303103713627025 1	-0.03405245747474529 -0.034261902942248686 -0.034227379518708835 -0.03724327161873553 -0.034540719938494946 -0.034586865192218014
shell1_X0_Y-1_Z1_mono0_fix1//test20tig_AVQZ/ DONE 7.303103713627025 1	-0.03405245747474529 -0.034261902942248686 -0.034227379518708835 -0.03724327161873553 -0.034540719938494946 -0.034586865192218014
shell1_X-1_Y0_Z1_mono0_fix1//test20tig_AVQZ/ DONE 7.303103713627025 1	-0.03405245747474529 -0.034261902942248686 -0.034227379518708835 -0.03724327161873553 -0.034540719938494946 -0.034586865192218014
shell1_X1_Y0_Z1_mono0_fix1//test20tig_AVQZ/ DONE 7.329992863852058 1	0.0006394670537123326 0.000692235208527767 0.0005879266259265249 0.0034700711164008086 0.0008772594503961179 0.0008955651515881262
shell1_X0_Y-1_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 7.329992863852058 1	0.0006394670537123326 0.000692235208527767 0.0005879266259265249 0.0034700711164008086 0.0008772594503961179 0.0008955651515881262
shell1_X-1_Y0_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 7.329992863852058 1	0.0006394670537123326 0.000692235208527767 0.0005879266259265249 0.0034700711164008086 0.0008772594503961179 0.0008955651515881262
shell1_X1_Y1_Z0_mono0_fix1//test20tig_AVQZ/ DONE 7.329992863852058 1	0.0006394670537123326 0.000692235208527767 0.0005879266259265249 0.0034700711164008086 0.0008772594503961179 0.0008955651515881262
shell1_X0_Y1_Z1_mono0_fix1//test20tig_AVQZ/ DONE 7.329992863852058 1	0.0006394670537123326 0.000692235208527767 0.0005879266259265249 0.0034700711164008086 0.0008772594503961179 0.0008955651515881262
shell1_X-1_Y-1_Z0_mono0_fix1//test20tig_AVQZ/ DONE 7.329992863852058 1	0.0006394670537123326 0.000692235208527767 0.0005879266259265249 0.0034700711164008086 0.0008772594503961179 0.0008955651515881262
shell1_X0_Y-1_Z1_mono3_fix1//test20tig_AVQZ/ DONE 8.136563857969453 1	0.008862556508998955 0.009037474897753892 0.008967102939155511 0.011741746728801402 0.009267950001349194 0.009285868571941535
shell1_X1_Y0_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 8.136563857969453 1	0.008862556508998955 0.009037474897753892 0.008967102939155511 0.011741746728801402 0.009267950001349194 0.009285868571941535
shell1_X-1_Y1_Z0_mono2_fix1//test20tig_AVQZ/ DONE 8.136563857969453 1	0.008862556508998955 0.009037474897753892 0.008967102939155511 0.011741746728801402 0.009267950001349194 0.009285868571941535
shell1_X0_Y0_Z1_mono3_fix1//test20tig_AVQZ/ DONE 8.198622256307068 1	0.006162263672775181 0.0062687021979798176 0.006255285572030477 0.007690064074175404 0.006394855416655814 0.0064228659498620925
shell1_X1_Y0_Z0_mono1_fix1//test20tig_AVQZ/ DONE 8.198622256307068 1	0.006162263672775181 0.0062687021979798176 0.006255285572030477 0.007690064074175404 0.006394855416655814 0.0064228659498620925
shell1_X0_Y1_Z0_mono2_fix1//test20tig_AVQZ/ DONE 8.198622256307068 1	0.006162263672775181 0.0062687021979798176 0.006255285572030477 0.007690064074175404 0.006394855416655814 0.0064228659498620925
shell1_X1_Y-1_Z0_mono2_fix1//test20tig_AVQZ/ DONE 8.25851173488032 1	-0.014412227584381262 -0.0145081452803914 -0.01449617670642675 -0.015557748266994268 -0.014619759656965742 -0.014624542625387621
shell1_X0_Y0_Z1_mono1_fix1//test20tig_AVQZ/ DONE 8.25851173488032 1	-0.014412227584381262 -0.0145081452803914 -0.01449617670642675 -0.015557748266994268 -0.014619759656965742 -0.014624542625387621
shell1_X0_Y1_Z0_mono3_fix1//test20tig_AVQZ/ DONE 8.25851173488032 1	-0.014412227584381262 -0.0145081452803914 -0.01449617670642675 -0.015557748266994268 -0.014619759656965742 -0.014624542625387621
shell1_X0_Y1_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 8.25851173488032 1	-0.014412227584381262 -0.0145081452803914 -0.01449617670642675 -0.015557748266994268 -0.014619759656965742 -0.014624542625387621
shell1_X1_Y0_Z0_mono2_fix1//test20tig_AVQZ/ DONE 8.25851173488032 1	-0.014412227584381262 -0.0145081452803914 -0.01449617670642675 -0.015557748266994268 -0.014619759656965742 -0.014624542625387621
shell1_X-1_Y0_Z1_mono1_fix1//test20tig_AVQZ/ DONE 8.25851173488032 1	-0.014412227584381262 -0.0145081452803914 -0.01449617670642675 -0.015557748266994268 -0.014619759656965742 -0.014624542625387621
shell1_X-1_Y1_Z1_mono0_fix1//test20tig_AVQZ/ DONE 8.928728830651423 1	-0.011733850704857485 -0.011816330396371411 -0.011793579170813327 -0.012783649319679548 -0.011907781115473635 -0.011907833293336128
shell1_X1_Y-1_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 8.928728830651423 1	-0.011733850704857485 -0.011816330396371411 -0.011793579170813327 -0.012783649319679548 -0.011907781115473635 -0.011907833293336128
shell1_X-1_Y-1_Z1_mono0_fix1//test20tig_AVQZ/ DONE 8.928728830651423 1	-0.011733850704857485 -0.011816330396371411 -0.011793579170813327 -0.012783649319679548 -0.011907781115473635 -0.011907833293336128
shell1_X-1_Y1_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 8.928728830651423 1	-0.011733850704857485 -0.011816330396371411 -0.011793579170813327 -0.012783649319679548 -0.011907781115473635 -0.011907833293336128
shell1_X1_Y-1_Z1_mono0_fix1//test20tig_AVQZ/ DONE 8.928728830651423 1	-0.011733850704857485 -0.011816330396371411 -0.011793579170813327 -0.012783649319679548 -0.011907781115473635 -0.011907833293336128
shell1_X1_Y1_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 8.928728830651423 1	-0.011733850704857485 -0.011816330396371411 -0.011793579170813327 -0.012783649319679548 -0.011907781115473635 -0.011907833293336128
shell1_X-1_Y-1_Z-1_mono0_fix1//test20tig_AVQZ/ DONE 8.95783983885648 1	0.017829631080879746 0.0180731623929663 0.018016884360966164 0.020738786844764493 0.01831168404068912 0.018334363214457042
shell1_X1_Y1_Z1_mono0_fix1//test20tig_AVQZ/ DONE 8.95783983885648 1	0.017829631080879746 0.0180731623929663 0.018016884360966164 0.020738786844764493 0.01831168404068912 0.018334363214457042
shell1_X-1_Y1_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 9.571727231438562 1	0.0002825231490186984 0.00035672686998573387 0.000312856541917543 0.0011899500448388175 0.0004163458649740802 0.00041262368745370934
shell1_X-1_Y-1_Z1_mono3_fix1//test20tig_AVQZ/ DONE 9.571727231438562 1	0.0002825231490186984 0.00035672686998573387 0.000312856541917543 0.0011899500448388175 0.0004163458649740802 0.00041262368745370934
shell1_X1_Y-1_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 9.571727231438562 1	0.0002825231490186984 0.00035672686998573387 0.000312856541917543 0.0011899500448388175 0.0004163458649740802 0.00041262368745370934
shell1_X0_Y1_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 9.617612392908283 1	0.005061817220823513 0.005155694834117508 0.005129186655950123 0.006374765611837026 0.005263508627030717 0.0052774491795828
shell1_X1_Y-1_Z0_mono1_fix1//test20tig_AVQZ/ DONE 9.617612392908283 1	0.005061817220823513 0.005155694834117508 0.005129186655950123 0.006374765611837026 0.005263508627030717 0.0052774491795828
shell1_X-1_Y0_Z1_mono3_fix1//test20tig_AVQZ/ DONE 9.617612392908283 1	0.005061817220823513 0.005155694834117508 0.005129186655950123 0.006374765611837026 0.005263508627030717 0.0052774491795828
shell1_X0_Y-1_Z1_mono1_fix1//test20tig_AVQZ/ DONE 9.661320198675062 1	-0.0008802046237439612 -0.0008566146438187478 -0.000854846250309809 -0.0007155865887606916 -0.0008422906643518099 -0.000837357300132282
shell1_X-1_Y-1_Z1_mono1_fix1//test20tig_AVQZ/ DONE 9.661320198675062 1	-0.0008802046237439612 -0.0008566146438187478 -0.000854846250309809 -0.0007155865887606916 -0.0008422906643518099 -0.000837357300132282
shell1_X-1_Y1_Z0_mono3_fix1//test20tig_AVQZ/ DONE 9.661320198675062 1	-0.0008802046237439612 -0.0008566146438187478 -0.000854846250309809 -0.0007155865887606916 -0.0008422906643518099 -0.000837357300132282
shell1_X1_Y-1_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 9.661320198675062 1	-0.0008802046237439612 -0.0008566146438187478 -0.000854846250309809 -0.0007155865887606916 -0.0008422906643518099 -0.000837357300132282
shell1_X-1_Y1_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 9.661320198675062 1	-0.0008802046237439612 -0.0008566146438187478 -0.000854846250309809 -0.0007155865887606916 -0.0008422906643518099 -0.000837357300132282
shell1_X1_Y0_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 9.661320198675062 1	-0.0008802046237439612 -0.0008566146438187478 -0.000854846250309809 -0.0007155865887606916 -0.0008422906643518099 -0.000837357300132282
shell1_X1_Y-1_Z1_mono3_fix1//test20tig_AVQZ/ DONE 9.667152502401356 1	0.003747088352831875 0.003814960974251524 0.0038081695743067217 0.004534032052787486 0.0038826684487694874 0.003894366876611213
shell1_X1_Y1_Z-1_mono1_fix1//test20tig_AVQZ/ DONE 9.667152502401356 1	0.003747088352831875 0.003814960974251524 0.0038081695743067217 0.004534032052787486 0.0038826684487694874 0.003894366876611213
shell1_X-1_Y1_Z1_mono2_fix1//test20tig_AVQZ/ DONE 9.667152502401356 1	0.003747088352831875 0.003814960974251524 0.0038081695743067217 0.004534032052787486 0.0038826684487694874 0.003894366876611213
shell1_X1_Y1_Z0_mono1_fix1//test20tig_AVQZ/ DONE 9.7241486162439 1	-0.002118042401862957 -0.0021192003717939657 -0.0021137293890747715 -0.0021790286812252953 -0.002125312908197669 -0.0021217904219767046
shell1_X0_Y1_Z1_mono2_fix1//test20tig_AVQZ/ DONE 9.7241486162439 1	-0.002118042401862957 -0.0021192003717939657 -0.0021137293890747715 -0.0021790286812252953 -0.002125312908197669 -0.0021217904219767046
shell1_X1_Y0_Z1_mono3_fix1//test20tig_AVQZ/ DONE 9.7241486162439 1	-0.002118042401862957 -0.0021192003717939657 -0.0021137293890747715 -0.0021790286812252953 -0.002125312908197669 -0.0021217904219767046
shell1_X1_Y0_Z1_mono2_fix1//test20tig_AVQZ/ DONE 9.78108176481778 1	-0.011447913030822852 -0.011547589559696148 -0.011534738664907318 -0.012647869238053448 -0.011656000632772872 -0.011666204718998235
shell1_X0_Y1_Z1_mono1_fix1//test20tig_AVQZ/ DONE 9.78108176481778 1	-0.011447913030822852 -0.011547589559696148 -0.011534738664907318 -0.012647869238053448 -0.011656000632772872 -0.011666204718998235
shell1_X1_Y1_Z0_mono3_fix1//test20tig_AVQZ/ DONE 9.78108176481778 1	-0.011447913030822852 -0.011547589559696148 -0.011534738664907318 -0.012647869238053448 -0.011656000632772872 -0.011666204718998235
shell1_X-1_Y1_Z1_mono1_fix1//test20tig_AVQZ/ DONE 9.78108176481778 1	-0.011447913030822852 -0.011547589559696148 -0.011534738664907318 -0.012647869238053448 -0.011656000632772872 -0.011666204718998235
shell1_X1_Y-1_Z1_mono2_fix1//test20tig_AVQZ/ DONE 9.78108176481778 1	-0.011447913030822852 -0.011547589559696148 -0.011534738664907318 -0.012647869238053448 -0.011656000632772872 -0.011666204718998235
shell1_X1_Y1_Z-1_mono3_fix1//test20tig_AVQZ/ DONE 9.78108176481778 1	-0.011447913030822852 -0.011547589559696148 -0.011534738664907318 -0.012647869238053448 -0.011656000632772872 -0.011666204718998235
shell1_X0_Y1_Z1_mono3_fix1//test20tig_AVQZ/ DONE 10.99302775400353 1	-0.00018334995723590756 -0.00018025768111042158 -0.0001777578016486427 -0.00011794775466951603 -0.00017472273199125354 -0.00017074119310183666
shell1_X1_Y0_Z1_mono1_fix1//test20tig_AVQZ/ DONE 10.99302775400353 1	-0.00018334995723590756 -0.00018025768111042158 -0.0001777578016486427 -0.00011794775466951603 -0.00017472273199125354 -0.00017074119310183666
shell1_X1_Y1_Z0_mono2_fix1//test20tig_AVQZ/ DONE 10.99302775400353 1	-0.00018334995723590756 -0.00018025768111042158 -0.0001777578016486427 -0.00011794775466951603 -0.00017472273199125354 -0.00017074119310183666
shell1_X1_Y-1_Z1_mono1_fix1//test20tig_AVQZ/ DONE 12.085817787625864 1	0.001960557259375811 0.0019833180294184663 0.0019794923965181462 0.0023193693945823463 0.00201553308974642 0.0020205596211533483
shell1_X-1_Y1_Z1_mono3_fix1//test20tig_AVQZ/ DONE 12.085817787625864 1	0.001960557259375811 0.0019833180294184663 0.0019794923965181462 0.0023193693945823463 0.00201553308974642 0.0020205596211533483
shell1_X1_Y1_Z-1_mono2_fix1//test20tig_AVQZ/ DONE 12.085817787625864 1	0.001960557259375811 0.0019833180294184663 0.0019794923965181462 0.0023193693945823463 0.00201553308974642 0.0020205596211533483
shell1_X1_Y1_Z1_mono3_fix1//test20tig_AVQZ/ DONE 12.175821068665913 1	-0.002623705371171772 -0.0026461333052758378 -0.002640649655510387 -0.002920197520207604 -0.0026725203989045802 -0.002674140938458905
shell1_X1_Y1_Z1_mono1_fix1//test20tig_AVQZ/ DONE 12.175821068665913 1	-0.002623705371171772 -0.0026461333052758378 -0.002640649655510387 -0.002920197520207604 -0.0026725203989045802 -0.002674140938458905
shell1_X1_Y1_Z1_mono2_fix1//test20tig_AVQZ/ DONE 12.175821068665913 1	-0.002623705371171772 -0.0026461333052758378 -0.002640649655510387 -0.002920197520207604 -0.0026725203989045802 -0.002674140938458905
