- of UlmASE-Trajectory  x@Nk@@Nk?(p@@eZ@(p@@Nk?ċ|?޵AV@eZ@ċ|?޵AV@ċ|@޵AV@Nk@ċ|@޵AV@ċ|?޵AV"@Nk@ċ|?޵AV"@Nk?y @޵AV"@eZ@y @޵AV"@ΐWb&@Nk@ΐWb&@Nk?(p@ΐWb&@eZ@(p@ΐWb&@Nk?ċ|?ΐWb*@e1 ?wkpin1 wmȓpi۹!=G^?Vk1K,"W?a?[U= )S?Y̞Y7YFqjp?a7F8U%{?ȰV*,79U?%{?1V*1Ss?%و?d4ϐnSs`و?Eϐn7PB=۬_LNBhEi1U$T>ig̈;?05?/?֖x?0,5ֿ?:x?Aۗ3=aڿ'â&9? 4eUKkT$??@usVJ=/2T?8x7{"version": 1, "cell": [[5.105310960166873, 0.0, 0.0], [0.0, 4.421328985723636, 0.0], [0.0, 0.0, 16.252703415323648]], "ase_version": "3.15.0b1", "pbc": [true, true, true], "numbers.": {"ndarray": [[17], "int64", 56]}, "constraints": "[{\"name\": \"FixAtoms\", \"kwargs\": {\"indices\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15]}}, {\"name\": \"FixedLine\", \"kwargs\": {\"a\": 16, \"direction\": [0.0, 0.0, 1.0]}}]", "positions.": {"ndarray": [[17, 3], "float64", 192]}, "info": {"adsorbate_info": {"cell": [[2.5526554800834367, 0.0], [1.2763277400417183, 2.210664492861818]], "sites": {"ontop": [0, 0], "bridge": [0.5, 0], "fcc": [0.3333333333333333, 0.3333333333333333], "hcp": [0.6666666666666666, 0.6666666666666666]}, "top layer atom index": 12}}, "tags.": {"ndarray": [[17], "int64", 600]}, "description": {"type": "optimization", "interval": 1, "maxstep": 0.5, "optimizer": "BFGS"}, "calculator.": {"forces.": {"ndarray": [[17, 3], "float64", 736]}, "name": "gpaw", "energy": -51.313313379881635, "parameters": {"xc": "PBE", "nbands": "150%", "eigensolver": {"name": "dav", "niter": 1}, "mode": {"ecut": 250.0, "name": "pw"}, "kpts": [6, 6, 1]}}}#@Nk@@Nk?(p@@eZ@(p@@Nk?ċ|?޵AV@eZ@ċ|?޵AV@ċ|@޵AV@Nk@ċ|@޵AV@ċ|?޵AV"@Nk@ċ|?޵AV"@Nk?y @޵AV"@eZ@y @޵AV"@ΐWb&@Nk@ΐWb&@Nk?(p@ΐWb&@eZ@(p@ΐWb&@Nk?ċ|?;ݭj*@q?%zڏ ߓq샿$zڏ /#91[c?9T)~~ZQU?g繿gEKW=1q?O'$3vҔ#4I|ohn?psr\XBy?\{=kCͨ\?UCWBy?=k򣿥q?)?7-qUl?n$-0c1Z==#r_dᶞcSu;*)VIQn ?#?lI?f6-?2ֿk[I?7-?i,=Pz~ۿ@?e?>]ALX:C@<`B8?z =5kE8?{"positions.": {"ndarray": [[17, 3], "float64", 2320]}, "cell": [[5.105310960166873, 0.0, 0.0], [0.0, 4.421328985723636, 0.0], [0.0, 0.0, 16.252703415323648]], "calculator.": {"forces.": {"ndarray": [[17, 3], "float64", 2864]}, "name": "gpaw", "energy": -51.45326379187957, "parameters": {"xc": "PBE", "nbands": "150%", "eigensolver": {"name": "dav", "niter": 1}, "mode": {"ecut": 250.0, "name": "pw"}, "kpts": [6, 6, 1]}}, "tags.": {"ndarray": [[17], "int64", 2728]}, "info": {"adsorbate_info": {"cell": [[2.5526554800834367, 0.0], [1.2763277400417183, 2.210664492861818]], "sites": {"ontop": [0, 0], "bridge": [0.5, 0], "fcc": [0.3333333333333333, 0.3333333333333333], "hcp": [0.6666666666666666, 0.6666666666666666]}, "top layer atom index": 12}}}##x x("(/@6<C@Nk@@Nk?(p@@eZ@(p@@Nk?ċ|?޵AV@eZ@ċ|?޵AV@ċ|@޵AV@Nk@ċ|@޵AV@ċ|?޵AV"@Nk@ċ|?޵AV"@Nk?y @޵AV"@eZ@y @޵AV"@ΐWb&@Nk@ΐWb&@Nk?(p@ΐWb&@eZ@(p@ΐWb&@Nk?ċ|?;ݭj)@a.x{~?GU|c?GeZ.x{~hX|c?[Ge3ٍYeݸ@GX?.ſ,yN_16:!bCO1U=oѰւ?z3܄4}OGI7@(BOr٢^?^ y?hBO?®Lv\ y1hBO?Lvdl@?6;bn?{j4$=k@ꃿ8@bn?C4$Z:=vuZt?*mz\\jXC52p?RЕ?*Xf?>f?ֿؕVf?>f?>==i+)ڿ dV?.Zk ,?4M6?RcM=qy<LdC{"positions.": {"ndarray": [[17, 3], "float64", 4368]}, "cell": [[5.105310960166873, 0.0, 0.0], [0.0, 4.421328985723636, 0.0], [0.0, 0.0, 16.252703415323648]], "calculator.": {"forces.": {"ndarray": [[17, 3], "float64", 4912]}, "name": "gpaw", "energy": -53.01947577210683, "parameters": {"xc": "PBE", "nbands": "150%", "eigensolver": {"name": "dav", "niter": 1}, "mode": {"ecut": 250.0, "name": "pw"}, "kpts": [6, 6, 1]}}, "tags.": {"ndarray": [[17], "int64", 4776]}, "info": {"adsorbate_info": {"cell": [[2.5526554800834367, 0.0], [1.2763277400417183, 2.210664492861818]], "sites": {"ontop": [0, 0], "bridge": [0.5, 0], "fcc": [0.3333333333333333, 0.3333333333333333], "hcp": [0.6666666666666666, 0.6666666666666666]}, "top layer atom index": 12}}}##@Nk@@Nk?(p@@eZ@(p@@Nk?ċ|?޵AV@eZ@ċ|?޵AV@ċ|@޵AV@Nk@ċ|@޵AV@ċ|?޵AV"@Nk@ċ|?޵AV"@Nk?y @޵AV"@eZ@y @޵AV"@ΐWb&@Nk@ΐWb&@Nk?(p@ΐWb&@eZ@(p@ΐWb&@Nk?ċ|?;ݭj(@?iS_?bD:_?`:u U=͏<¿WR0,3@Y 1Z~?AnYF0ϥ?oY?dF1ϥ翩Ոu*6="S{@QcV⿥>˛\\N ?A? 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Ҡ@=HṳTr+?{"positions.": {"ndarray": [[17, 3], "float64", 11216]}, "cell": [[5.105310960166873, 0.0, 0.0], [0.0, 4.421328985723636, 0.0], [0.0, 0.0, 16.252703415323648]], "calculator.": {"forces.": {"ndarray": [[17, 3], "float64", 11760]}, "name": "gpaw", "energy": -53.53561484477712, "parameters": {"xc": "PBE", "nbands": "150%", "eigensolver": {"name": "dav", "niter": 1}, "mode": {"ecut": 250.0, "name": "pw"}, "kpts": [6, 6, 1]}}, "tags.": {"ndarray": [[17], "int64", 11624]}, "info": {"adsorbate_info": {"cell": [[2.5526554800834367, 0.0], [1.2763277400417183, 2.210664492861818]], "sites": {"ontop": [0, 0], "bridge": [0.5, 0], "fcc": [0.3333333333333333, 0.3333333333333333], "hcp": [0.6666666666666666, 0.6666666666666666]}, "top layer atom index": 12}}}#######@Nk@@Nk?(p@@eZ@(p@@Nk?ċ|?޵AV@eZ@ċ|?޵AV@ċ|@޵AV@Nk@ċ|@޵AV@ċ|?޵AV"@Nk@ċ|?޵AV"@Nk?y @޵AV"@eZ@y @޵AV"@ΐWb&@Nk@ΐWb&@Nk?(p@ΐWb&@eZ@(p@ΐWb&@Nk?ċ|?=(@;yw zEG?d zbib{z?M?weˠb&H0L=XB0?_CȨ I0|MNc?ւQt0?j>.b?PON"?t6?Y4k2?Cl{NƲ12?#(s{J?Or%?Id2)T3Zr??P?gd&^^ 06t ?`Pjn61';0?D4{ʔ0?hۿ]vп=Oa?󔵃?Houwп%~Q?2%--i?s9zV? ض1?cmDwI"?מ^? '%?6ͬkѿ{"positions.": {"ndarray": [[17, 3], "float64", 12936]}, "cell": [[5.105310960166873, 0.0, 0.0], [0.0, 4.421328985723636, 0.0], [0.0, 0.0, 16.252703415323648]], "calculator.": {"forces.": {"ndarray": [[17, 3], "float64", 13480]}, "name": "gpaw", "energy": -60.83540312640647, "parameters": {"xc": "PBE", "nbands": "150%", "eigensolver": {"name": "dav", "niter": 1}, "mode": {"ecut": 500.0, "name": "pw"}, "kpts": [8, 8, 1]}}, "tags.": {"ndarray": [[17], "int64", 13344]}, "info": {"adsorbate_info": {"cell": [[2.5526554800834367, 0.0], [1.2763277400417183, 2.210664492861818]], "sites": {"ontop": [0, 0], "bridge": [0.5, 0], "fcc": [0.3333333333333333, 0.3333333333333333], "hcp": [0.6666666666666666, 0.6666666666666666]}, "top layer atom index": 12}}}#######@Nk@@Nk?(p@@eZ@(p@@Nk?ċ|?޵AV@eZ@ċ|?޵AV@ċ|@޵AV@Nk@ċ|@޵AV@ċ|?޵AV"@Nk@ċ|?޵AV"@Nk?y @޵AV"@eZ@y @޵AV"@ΐWb&@Nk@ΐWb&@Nk?(p@ΐWb&@eZ@(p@ΐWb&@Nk?ċ|?8px(@4c/-yll ɑ?®起y?]K?V<TNSK0T;[o"߻;D0? ܝEDWy90C*B`?BE/A R"0?EĬ-b?8yG? 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(#}FWIi? jbB?$ h}c)dh^qB?.Jh} 7xJ ?ͿK`8x??~ ?d%Ϳ 0=Ik/? DChp0?$3t(|-8?1"q|'GԿip?Kz?1_vԿij(P? _-Ny?}xI?r1?*Si&?*$ǯ? ^,&?$ٳ5W6,?{"positions.": {"ndarray": [[17, 3], "float64", 16376]}, "cell": [[5.105310960166873, 0.0, 0.0], [0.0, 4.421328985723636, 0.0], [0.0, 0.0, 16.252703415323648]], "calculator.": {"forces.": {"ndarray": [[17, 3], "float64", 16920]}, "name": "gpaw", "energy": -60.839137648902955, "parameters": {"xc": "PBE", "nbands": "150%", "eigensolver": {"name": "dav", "niter": 1}, "mode": {"ecut": 500.0, "name": "pw"}, "kpts": [8, 8, 1]}}, "tags.": {"ndarray": [[17], "int64", 16784]}, "info": {"adsorbate_info": {"cell": [[2.5526554800834367, 0.0], [1.2763277400417183, 2.210664492861818]], "sites": {"ontop": [0, 0], "bridge": [0.5, 0], "fcc": [0.3333333333333333, 0.3333333333333333], "hcp": [0.6666666666666666, 0.6666666666666666]}, "top layer atom index": 12}}}