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update unit test
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ATOMIC_SPECIES
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He 4.0026 auto auto
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LATTICE_CONSTANT
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1.8897270000
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LATTICE_VECTORS
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10.0000000000 0.0000000000 0.0000000000
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0.0000000000 10.0000000000 0.0000000000
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0.0000000000 0.0000000000 10.0000000000
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ATOMIC_POSITIONS
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Cartesian
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He #label
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0.0000 #magnetism
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32 #number of atoms
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0.0655588081 9.9683119490 0.0573495702 m 1 1 1 v 0.0002950037 -0.0001359087 0.0002817142
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0.0296020455 9.9394287800 5.0974576575 m 1 1 1 v 0.0001450707 -0.0002659284 0.0004288033
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9.8437701902 5.0285548903 9.9750151927 m 1 1 1 v -0.0007044281 0.0001389467 -0.0001200141
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0.1593199064 4.8142404625 5.0254534456 m 1 1 1 v 0.0007415303 -0.0008638378 0.0001205085
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5.0478627152 0.1039334022 9.9257632192 m 1 1 1 v 0.0002314661 0.0004741028 -0.0003442097
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5.0029102003 9.9636970071 5.0330422438 m 1 1 1 v 0.0000172209 -0.0001939876 0.0001700901
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4.8903853112 4.9686490249 0.0111471151 m 1 1 1 v -0.0004991972 -0.0001467827 0.0000501866
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5.0777210495 5.0598930691 4.8868119138 m 1 1 1 v 0.0003692795 0.0002563320 -0.0005158799
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2.6540295807 2.5271295893 0.0063399217 m 1 1 1 v 0.0007084865 0.0001346339 0.0000232620
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2.5161768072 2.4343319000 5.0855185376 m 1 1 1 v 0.0000798909 -0.0003153276 0.0003981596
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2.4885226114 7.6183654890 9.9916893544 m 1 1 1 v -0.0000705801 0.0005501795 -0.0000119107
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2.5472229404 7.3903651016 4.9353714563 m 1 1 1 v 0.0001986861 -0.0004975157 -0.0003020557
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7.4815287957 2.4263888494 9.9233415484 m 1 1 1 v -0.0000920512 -0.0003376769 -0.0003536841
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7.5241804124 2.5573040389 4.9833906701 m 1 1 1 v 0.0001258496 0.0002684644 -0.0000759589
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7.4695431022 7.4394976591 9.8722710346 m 1 1 1 v -0.0001710906 -0.0002611367 -0.0005919685
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7.5005490316 7.4428194462 5.1135787733 m 1 1 1 v -0.0000055483 -0.0002727539 0.0005241266
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2.4904082317 0.1601904807 2.5115332253 m 1 1 1 v -0.0000457050 0.0007460947 0.0000629334
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2.4331552911 9.9859414563 7.5652838492 m 1 1 1 v -0.0003120657 -0.0000668895 0.0003013885
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2.5023759747 5.0062549748 2.4352866258 m 1 1 1 v -0.0000001888 0.0000162094 -0.0003142300
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2.5546402518 5.0993060966 7.3995116538 m 1 1 1 v 0.0002383422 0.0004574823 -0.0004564841
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7.5185693929 9.9213221538 2.4952978333 m 1 1 1 v 0.0000890360 -0.0003842210 -0.0000176632
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7.5566224950 0.0732059047 7.4670019245 m 1 1 1 v 0.0002452208 0.0003541221 -0.0001600036
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7.4586761755 5.0230751233 2.4212251455 m 1 1 1 v -0.0001945627 0.0001116452 -0.0003764660
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7.5826720157 5.0347139511 7.5141572910 m 1 1 1 v 0.0003678149 0.0001399331 0.0000487214
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0.0089573689 2.5662392942 2.4973462274 m 1 1 1 v 0.0000351825 0.0003053353 -0.0000266476
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0.0417566390 2.4636651990 7.6067552685 m 1 1 1 v 0.0002120403 -0.0001648501 0.0005167711
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9.9989679634 7.5404906965 2.5014145451 m 1 1 1 v -0.0000047379 0.0001780690 0.0000184666
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9.8612024820 7.6473271727 7.4337306273 m 1 1 1 v -0.0006222054 0.0006675675 -0.0002959123
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5.0432660960 2.3783889173 2.5889289401 m 1 1 1 v 0.0002188891 -0.0005654607 0.0004240516
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4.9250307726 2.4734365320 7.3864959938 m 1 1 1 v -0.0003367943 -0.0001065234 -0.0005436354
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4.9123907180 7.4499967239 2.6171837953 m 1 1 1 v -0.0003999327 -0.0002036017 0.0005137604
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4.8124246568 7.4935346648 7.6353053219 m 1 1 1 v -0.0008599223 -0.0000167156 0.0006237795

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