32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=263200.734272 stress="-61592.4236247032 16607.55938509701 -26419.71503411386 16607.55938509701 -18230.165626430276 10138.863262658222 -26419.71503411386 10138.863262658222 -55112.63434525247" pbc="F F F" Zr 0.28705572 -0.02426648 0.04890790 -20.66913984 -35.06972195 -21.49563655 Zr 1.21820617 1.10202466 0.29134357 34.52400252 18.86290084 -32.13410056 Nb 1.62143412 0.17574341 1.26684770 -1733.65742205 80.54653757 915.14954392 Zr 0.10291948 1.30509110 0.98067784 -43.67678433 17.84426946 21.04116335 Nb 3.16285010 0.08447967 0.18625006 -4148426.29911459 896535.62627888 -3193213.94785958 Nb 4.67684696 1.49752075 0.11658930 18.76145923 34.37185513 -28.21093436 Nb 4.45141530 -0.19392352 1.17736341 4150061.84189967 -896687.71778439 3192075.35834923 Zr 3.36229984 1.25589195 1.59928966 1.86410388 2.46862596 0.32604153 Zr 0.15704582 3.15622758 0.23856472 -18.49275244 -7.42436118 -11.08450544 Zr 1.19085376 4.40861380 0.08789351 8.20070271 18.59706341 -21.05079644 Zr 1.80743413 2.99686001 1.82038541 -10.37009104 -11.60582407 -3.74201380 Zr 0.25604561 4.70836820 1.57764392 -16.11027345 15.61364671 7.86942394 Nb 2.98522214 3.06936415 0.21184897 35349.98932142 -316089.68776653 -410914.95621513 Nb 4.24382632 4.43290359 0.09437519 3162.98079942 3421.31712241 -305.79186490 Nb 4.39466534 2.96357502 1.95688142 936423.49039242 -302313.72283363 -980139.40487435 Nb 2.85747765 4.10683143 1.57619814 160795.71580256 298679.61232232 166026.29643157 Nb 0.07201435 0.06537949 2.79167335 -15.02772955 -13.41888528 5.33649999 Zr 1.10523900 1.42533790 3.07998474 -8.76337511 1.70331172 -7.53332627 Zr 1.89218707 0.38291212 4.46792804 2.10267419 -18.53125451 20.08438339 Zr 0.11140612 1.45557826 4.71312008 -18.30607997 -5.06039166 17.27814609 Nb 2.47600327 0.11639028 3.01388538 117.14630210 -30.69674553 228.30252232 Nb 4.34674138 1.34442536 3.17091975 -178710.96313089 976207.49024391 -774481.42171872 Nb 4.58707917 0.03209935 4.21196690 178795.86644243 -976260.29970971 774450.48062648 Nb 2.82253780 1.87105019 4.32066534 -188.01613919 -419.94442709 415.79037641 Zr -0.07323947 3.14501897 3.38727088 -23.07881486 1.45768746 -6.21175089 Nb 1.65543390 4.27814958 2.81569619 -208826.94015272 30433.26192962 213535.59488534 Zr 1.58670455 2.80838795 4.50791755 -0.28526604 7.92376802 23.05646092 Nb 0.24990670 4.53532830 4.39990175 -6.56986871 12.53925901 10.10578085 Nb 3.25577468 3.33119802 3.14919673 -926737.38207427 286368.78556157 1011400.31114675 Zr 4.63478220 4.53152574 3.02085349 18.34432746 14.85852782 -0.09025158 Zr 4.29309679 2.67600956 4.48209129 15.24173122 3.38251395 17.93427926 Zr 2.95326110 4.72984808 4.16003652 -1.46175217 16.91627973 16.75978725