16
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=4456.158223561707 stress="-0.2676628053207559 0.010796758089629465 -0.0633036349671706 0.010796758089629465 -0.2763326728180064 0.040458768818478305 -0.0633036349671706 0.040458768818478305 -0.26694889955418927" pbc="F F F"
Lu      20.94756119      21.06914096      20.81223381     -58.07467631   -1234.04378171    -222.30573168 
Lu      22.82678468      22.44459233      22.78336392    -261.06295496    2698.72221535   -2787.82851938 
Lu      23.90145852      21.16030752      20.88740050    -148.73678819    -737.93816276    -892.18359501 
Lu      25.62344018      22.44810050      22.18867621    1069.12076780    -162.72252656     571.57877207 
Lu      20.84311810      23.47899097      21.01111621    -152.23350589    1204.14635619    -195.76436140 
Lu      22.74330117      25.34380975      22.77359206   -2307.82821712    3104.15009603   -3206.99453731 
Lu      24.36806111      24.27284965      20.99447719    -585.58565490     -34.98073447   -1328.55230828 
Lu      25.66077088      25.48706226      22.70651804    1208.90822243    1012.55811233      57.14629961 
Lu      21.28043358      21.01336526      23.70206730   -2136.81661576   -2201.87261541     366.40336214 
Lu      22.15719045      22.58733811      25.37441442     242.55824858     133.62291035    1537.25855308 
Lu      24.03659044      21.10315079      24.16089080    1651.74455694   -2073.62278497    1561.41006023 
Lu      25.73698610      22.53915888      25.68935086     249.56589642      27.93855997     229.66967708 
Lu      20.86123895      24.03083599      23.70294006   -1616.75640451    -259.27430929    -202.60754048 
Lu      22.30003309      25.28080160      25.34359120    -490.01353261    1131.44057814    1492.40548583 
Lu      24.07870294      24.19999696      24.08583377    3075.00668685   -2887.62661650    2686.49652430 
Lu      25.59849646      25.60378262      25.67571699     260.20397123     279.50270332     333.86785919