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=1766.2391446602328 stress="-0.11929885717780218 -0.013763965929101386 -0.04488824859854494 -0.013763965929101386 -0.11833414942388393 -0.006678426790387317 -0.04488824859854494 -0.006678426790387317 -0.1147389669165789" pbc="F F F"
Sc      21.41313773      20.99242852      21.20748971    -325.65934209    -322.51411325    -273.32194673 
Sc      22.71534239      22.52729447      22.49710572    -384.59873360     617.24356421    -151.87593440 
Sc      24.16543489      21.15503696      20.89561371    -143.92984046    -522.04945748    -546.79220587 
Sc      25.40013041      22.38388075      22.49413456    1316.10609555     659.39638230    -145.44273403 
Sc      21.24491159      24.30127086      20.93653949    -358.12596201    -250.00819367    -398.77539038 
Sc      22.59755175      25.50098800      22.46699722     259.39825298     414.88050566     259.45432654 
Sc      24.29014520      23.78730279      20.80240714    -165.86784407     189.76842600    -460.33389504 
Sc      25.51899814      25.49221458      22.18555245     165.28143888     196.67682372      99.90697537 
Sc      21.28898257      21.09208950      24.23003025    -463.83080780    -679.78597745    -331.91447053 
Sc      22.33284965      22.76005689      25.43578461    1032.35109255    -262.11347714    1431.25696729 
Sc      24.06057102      21.09569260      23.75945934    -268.43697389   -1163.90958062     989.09086117 
Sc      25.50968060      22.67511051      25.48217317     337.94044618    -374.25212511     332.05997235 
Sc      21.01636833      23.91486124      24.07859987    -966.02169771     753.65212245    -794.86560432 
Sc      22.86158529      25.60051876      25.40012829    -687.34372599     376.76102169     198.88823683 
Sc      24.08572870      23.96927997      24.04902443    -338.13756858    -244.98261101    -890.06471321 
Sc      25.20231081      25.24626727      25.57161866     990.87517004     611.23668971     682.72955498