32 Lattice="14.008239877610986 0.0 0.0 0.0 14.008239877610986 0.0 0.0 0.0 14.008239877610986" Properties=species:S:1:pos:R:3:forces:R:3 energy=-21.67259397173997 stress="-0.0003118581233933246 5.3147571835188946e-05 -5.522888068873558e-05 5.3147571835188946e-05 -0.000293003717574306 -1.5027727788217033e-05 -5.522888068873558e-05 -1.5027727788217033e-05 -0.00030846171345743256" free_energy=-21.67259397173997 pbc="F F F" Ba 0.08018312 0.05009721 0.04881510 -0.02566900 -0.03083775 -0.03727786 Ba 3.56770412 3.50401025 0.01525655 0.09191836 0.09911988 -0.05360714 Ba 3.49856983 0.02419836 3.53216474 0.09557225 -0.06372588 0.08846573 Ba 0.03011836 3.50109691 3.46588865 -0.06128107 0.08169283 0.12528290 Ba 7.04174758 0.05008992 0.05337672 -0.11136238 -0.06802852 -0.05797716 Ba 10.48685532 3.46737618 0.05058607 0.05214417 0.12162584 -0.05688144 Ba 10.48532589 0.03643775 3.45063468 0.06613854 -0.06438582 0.11835186 Ba 7.01285000 3.50695109 3.55458450 -0.12024639 0.18030131 0.10040663 Ba 0.05836475 6.98911057 0.03882886 -0.07000618 -0.07267285 -0.07285109 Ba 3.44570261 10.54175358 0.03845124 0.10918050 0.05192143 -0.05572150 Ba 3.46252460 7.05776134 3.43470203 0.20812055 -0.15832182 0.16628595 Ba 0.05945971 10.46621719 3.56603862 -0.07882931 0.07291908 0.06839218 Ba 7.02819210 7.02387434 0.01031593 -0.10374598 -0.09857111 -0.03909831 Ba 10.44652411 10.52663637 0.04549876 0.03720740 0.02672096 -0.03627406 Ba 10.55658825 7.04357485 3.50439656 0.03861409 -0.13406121 0.10111006 Ba 7.05153524 10.53124320 3.49073074 -0.15176789 0.05094709 0.09704778 Ba 0.02195343 0.00392151 7.06984841 -0.04398331 -0.04188447 -0.12635100 Ba 3.52775550 3.54586477 6.95622976 0.11306573 0.11484036 -0.09879771 Ba 3.49706107 0.00475138 10.47257648 0.09101776 -0.05225412 0.04153601 Ba 0.01284828 3.44480204 10.45805672 -0.03473048 0.11772077 0.05422273 Ba 6.99518625 0.01799905 6.95606730 -0.08128601 -0.06872001 -0.06124754 Ba 10.51049572 3.46367071 7.04277517 0.03471090 0.13407853 -0.10720447 Ba 10.46057237 0.05125426 10.52914968 0.01071785 -0.02892843 0.01788662 Ba 6.93983155 3.46142352 10.52266719 -0.06263899 0.13669196 0.02643959 Ba 0.05089096 6.96103296 6.96012917 -0.06605456 -0.08776822 -0.05314583 Ba 3.51150291 10.47357153 7.04531231 0.09785257 0.07058953 -0.12037351 Ba 3.51751733 7.00407905 10.51855597 0.08583841 -0.11518327 0.05350302 Ba 0.05688372 10.46187290 10.51022443 -0.02874410 0.01151146 0.00984423 Ba 6.98543786 7.07356071 6.97833831 -0.10010765 -0.19570166 -0.12335998 Ba 10.46835573 10.51530424 6.97573531 0.06621084 0.05264990 -0.06303597 Ba 10.50337562 7.03009188 10.49521487 0.02413385 -0.09986925 0.02745618 Ba 7.02859105 10.49015240 10.46060433 -0.08199048 0.05758346 0.06697310