18
Lattice="6.646778 0.0 0.012127 0.0 4.662004 0.0 -2.23799 0.0 10.977324" Properties=species:S:1:pos:R:3:forces:R:3 energy=-97.58393832299203 stress="-0.011317626190795321 -4.667679027683011e-07 -0.0004813409778966572 -4.667679027683011e-07 -0.012351018394978465 3.7540234681913085e-08 -0.0004813409778966572 3.7540234681913085e-08 -0.01273230791203155" dipole="-0.00012364402654593072 -2.6915683614255128e-05 6.94794340334427e-05" pbc="T T T"
Pt       0.00000000       0.00000000       0.00000000       0.00001141      -0.00003987       0.00003307
Pt       2.19928000       1.55081000       0.02640000      -0.03837010       0.00934121       0.04710251
Pt       1.09156000       3.09442000       1.91626000       0.03228105      -0.01354209      -0.12539202
Pt       4.43623000       0.76342000       3.58453000      -0.03241763      -0.01355028       0.12543457
Pt       3.32850000       3.88181000       5.47439000       0.03844527       0.00939040      -0.04715493
Pt      -1.11899459       2.33100000       5.48865999      -0.00000821      -0.00000960       0.00001347
Pt       1.08029000       0.78019000       5.51506000      -0.03847834      -0.00940154       0.04711319
Pt      -0.02744000       3.89858000       7.40492000       0.03237364       0.01356011      -0.12547320
Pt       3.31723000       1.56758000       9.07320000      -0.03233183       0.01357869       0.12531726
Pt       2.20950000       3.11120000      10.96305000       0.03849097      -0.00945870      -0.04703789
Se       5.74741000       1.70248000       1.53089000       0.01407645      -0.02071462      -0.02126341
Se       3.09599000       4.48939000       1.59306000      -0.01482196      -0.03756056      -0.01984727
Se       2.43179000       2.15839000       3.90773000       0.01486060      -0.03762531       0.01990742
Se      -0.21963000       4.03348000       3.96990000      -0.01402956      -0.02073784       0.02127272
Se       4.62841000       0.62852000       7.01955000       0.01414870       0.02072853      -0.02129288
Se       1.97700000       2.50361000       7.08172000      -0.01487535       0.03762949      -0.01992924
Se       1.31280000       0.17261000       9.39639000       0.01477149       0.03763754       0.01989957
Se      -1.33862000       2.95952000       9.45856000      -0.01412650       0.02077240       0.02129698