19
Lattice="5.650896553477075 -3.26292083798233 0.0 5.650027743744456 3.2614159696510248 0.0 -5.186277801377654e-17 7.203201886986016e-21 24.532831112654016" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-119.91799802800028 stress="2.008706390675162e-05 -4.3050655004531824e-05 -2.0835374470672396e-05 -4.3050655004531824e-05 6.439060479766691e-06 4.516579531106364e-06 -2.0835374470672396e-05 4.516579531106364e-06 2.51162431023744e-05" dipole="0.04756680034214391 5.074499513931814 2.5418270153139408e-05" magmom=0.0 free_energy=-119.96265254601386 pbc="T T F"
Zr      -0.00029168       0.00174271       9.07651737        0       0.00000000       0.00045361       0.00318584      -0.00277562       0.00000000
Se       1.92385109       1.06347505      10.74914460        0       0.00000000       0.00291661      -0.00119667       0.00128880       0.00000000
Se       5.65043935      -1.08818059       7.49973770        0       0.00000000      -0.00122003       0.00009481       0.00166276       0.00000000
Zr       1.88171767       1.08799571      15.45623443        1       0.00000000      -0.00302078       0.00162343       0.00331871       0.00000000
Se       5.65057289      -1.08816109      17.03307469        1       0.00000000       0.00092519      -0.00030869      -0.00143251       0.00000000
Se      -0.00014020      -0.04691559      13.78375917        1       0.00000000      -0.00102607      -0.00373007      -0.00079603       0.00000000
Zr       3.76830723      -0.00147630       9.07648549        0       0.00000000       0.00302719      -0.00166234      -0.00290683       0.00000000
Se       5.65000485       1.13361085      10.74919469        0       0.00000000       0.00109318       0.00345249       0.00073912       0.00000000
Se       3.76635009       2.17425168       7.49148495        0       0.00000000      -0.00077561       0.00005316       0.00165564       0.00000000
Zr       5.65025451       1.08484351      15.45634006        1       0.00000000      -0.00031237      -0.00330279       0.00284937       0.00000000
Se       3.76658703       2.17417407      17.04151440        1       0.00000000       0.00091165      -0.00018973      -0.00195193       0.00000000
Se       3.72632589       0.02281047      13.78379504        1       0.00000000      -0.00333279       0.00161982      -0.00131546       0.00000000
Zr       7.53206923      -0.00197194       9.07675696        0       0.00000000      -0.00236490      -0.00175073      -0.00311383       0.00000000
Se       3.72640923      -2.19877305      10.74918145        0       0.00000000      -0.00288960      -0.00246911       0.00056391       0.00000000
Se       1.88337742      -1.08778554       7.49149685        0       0.00000000      -0.00091896       0.00045371       0.00161620       0.00000000
Zr       3.76866091      -2.17447934      15.45646365        1       0.00000000       0.00283825       0.00186018       0.00260826       0.00000000
Se       1.88350477      -1.08760305      17.04151721        1       0.00000000       0.00109147      -0.00025476      -0.00196154       0.00000000
Se       7.57450160       0.02241466      13.78371548        1       0.00000000       0.00291327       0.00255220      -0.00042322       0.00000000
Zr       5.65057863      -1.08818533      12.26619876        2       0.00000000      -0.00030911      -0.00003078       0.00062766       0.00000000