# systems

unique_id: 7907dbb70d00ddb872e62f29ce72c7a4
username: mhangaard
data: {"frequencies": [553.7635104956818, 588.1537873840831, 1004.8532529529884]}
constraints:
  [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 5, 6, 7, 10, 11, 12, 15, 16, 17, 20, 21, 22, 25, 26, 27]}}]

key_value_pairs:
  {"kpts": "4x6", "series": "H", "fmaxout": 0.025356040891739505, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "H", "adsorbate": "H", "ads": "H", "layers": 5, "bulk": "Pt", "term": "Pt", "pw": 500.0, "epot": -86693.39053547618, "surf_lattice": "hexagonal", "ligand": "None", "name": "Pt", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "vibs"}


unique_id: 41aed6045a2aa4e28b5f1b1d78d64eb0
username: mhangaard
constraints:
  [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 5, 6, 7, 10, 11, 12, 15, 16, 17, 20, 21, 22, 25, 26, 27]}}]

key_value_pairs:
  {"kpts": "4x6", "series": "CH", "fmaxout": 0.03716249777390571, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH", "adsorbate": "CH", "ads": "CH", "layers": 5, "bulk": "Pt", "term": "Pt", "pw": 500.0, "epot": -86851.27660259191, "surf_lattice": "hexagonal", "ligand": "None", "name": "Pt", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "vibs"}

data:
  {"frequencies": [455.4314507984319, 462.47713915536474, 587.7242934551058, 787.7861433584515, 788.97783656134, 3093.1558025662857]}


unique_id: a59665a880d6d02b559be7730d1e8e5f
username: mhangaard
data: {"frequencies": [450.4948110593958, 584.8628544072106, 641.4642300163604]}
constraints:
  [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 5, 6, 7, 10, 11, 12, 15, 16, 17, 20, 21, 22, 25, 26, 27]}}]

key_value_pairs:
  {"kpts": "4x6", "series": "C", "fmaxout": 0.028578838955637433, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "C", "adsorbate": "C", "ads": "C", "layers": 5, "bulk": "Pt", "term": "Pt", "pw": 500.0, "epot": -86833.86097356856, "surf_lattice": "hexagonal", "ligand": "None", "name": "Pt", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "vibs"}


unique_id: f26fdd2e08a15cd600a41c7f2fe4b98b
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CH3CH", "fmaxout": 0.02922469030889036, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH3CH", "adsorbate": "CH3CH", "ads": "CH3CH", "layers": 5, "bulk": "Pt", "term": "Pt", "pw": 500.0, "epot": -87059.0811760437, "surf_lattice": "hexagonal", "ligand": "None", "name": "Pt", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "vibs"}

data:
  {"frequencies": [190.46796725801903, 66.93332364521937, 148.3486255982596, 270.815501348617, 375.5451256621259, 489.3521453479762, 741.0446281521627, 979.7219913304637, 998.2891284030261, 1002.7162393553028, 1201.4999175466023, 1370.5161935468598, 1433.7435030452805, 1446.558923998291, 3013.096615121793, 3025.4431760509046, 3082.769884413427, 3095.5955426071005]}


unique_id: dc0c548bac7c79f193b63ebf4988e9b4
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CH3CH2", "fmaxout": 0.02928338331598875, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH3CH2", "adsorbate": "CH3CH2", "ads": "CH3CH2", "layers": 5, "bulk": "Cu", "term": "Cu", "pw": 500.0, "epot": -165684.31110508423, "surf_lattice": "hexagonal", "ligand": "None", "name": "Cu", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "morevibs"}

data:
  {"frequencies": [37.329412853667435, 53.50937638746711, 58.48870354746435, 168.35385259621975, 222.68139702959238, 364.48651672349877, 554.998774658452, 885.8993663128318, 925.4176025111602, 979.2887029872073, 1111.697210087452, 1219.034827704975, 1376.303545116257, 1424.3705680686699, 1457.923993663607, 1461.7323507596116, 2984.7657304408804, 3041.5612458166447, 3058.534868870539, 3082.581518297844, 3101.9817375335297]}


unique_id: 32ccac2b97599773e759a966fad98b6a
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CH2", "fmaxout": 0.027745722831858766, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH2", "adsorbate": "CH2", "ads": "CH2", "layers": 5, "bulk": "Rh", "term": "Rh", "pw": 500.0, "epot": -70481.00626812782, "surf_lattice": "hexagonal", "ligand": "None", "name": "Rh", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "morevibs"}

data:
  {"frequencies": [75.69747589299654, 350.0434095201492, 521.7494661774604, 527.073453214038, 604.586618456472, 793.7431881766951, 1335.2830490820759, 2974.2079081918737, 3053.3218574083444]}


unique_id: 1d8172291b1054e0c904dca48e0428b1
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CH3", "fmaxout": 0.030529387602124737, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH3", "adsorbate": "CH3", "ads": "CH3", "layers": 5, "bulk": "Rh", "term": "Rh", "pw": 500.0, "epot": -70497.94243805688, "surf_lattice": "hexagonal", "ligand": "None", "name": "Rh", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "morevibs"}

data:
  {"frequencies": [53.457906905995195, 83.13081128127023, 85.42719584378673, 441.17785666617056, 671.4534580014932, 675.1149886765502, 1144.1163901031482, 1405.889996579983, 1410.5384285385228, 3018.2079861098455, 3123.280097693043, 3124.2941869229103]}


unique_id: e888cf4cd9413e247bab388381d18f63
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CHCH", "fmaxout": 0.028780214034445077, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CHCH", "adsorbate": "CHCH", "ads": "CHCH", "layers": 5, "bulk": "Pt", "term": "Pt", "pw": 500.0, "epot": -87025.42996671701, "surf_lattice": "hexagonal", "ligand": "None", "name": "Pt", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "morevibs"}

data:
  {"frequencies": [255.8246496610714, 274.3701307831491, 288.87623525732124, 518.0851121689275, 596.1711505734255, 755.0275796932732, 849.7434566783625, 981.9801717450538, 1136.155004852045, 1298.6695516061782, 3130.610853759637, 3150.4263826648466]}


unique_id: e4e1808d6d8fb0eddcac2b2d9ec66748
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CH2CH", "fmaxout": 0.0363864346461386, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH2CH", "adsorbate": "CH2CH", "ads": "CH2CH", "layers": 5, "bulk": "Pd", "term": "Pd", "pw": 500.0, "epot": -81912.56892125004, "surf_lattice": "hexagonal", "ligand": "None", "name": "Pd", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "morevibs"}

data:
  {"frequencies": [166.1052764276392, 184.79656439859502, 347.43416044365114, 426.046730516388, 434.4816369294897, 489.70782248407903, 642.948336085986, 868.6857200725775, 966.731967522515, 1026.25289327442, 1101.1786102061137, 1392.8798019646697, 3011.301242598549, 3024.6815087465448, 3080.297556881701]}


unique_id: f69fb2a75b4f97c6dc3fc7d481014102
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CHC", "fmaxout": 0.029620444132530215, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CHC", "adsorbate": "CHC", "ads": "CHC", "layers": 5, "bulk": "Cu", "term": "Cu", "pw": 500.0, "epot": -165615.70384847594, "surf_lattice": "hexagonal", "ligand": "None", "name": "Cu", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "Cuvibs"}

data:
  {"frequencies": [66.135259582429, 64.53409317788896, 183.53602125313756, 185.75426204044913, 381.40264604295055, 616.336879786628, 619.148925812523, 2003.2848951742353, 3472.164002626559]}


unique_id: 86c551ec3f8850bae52b589c07d47293
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "series": "CH3C", "fmaxout": 0.03165299359994525, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH3C", "adsorbate": "CH3C", "ads": "CH3C", "layers": 5, "bulk": "Cu", "term": "Cu", "pw": 500.0, "epot": -165650.1150151874, "surf_lattice": "hexagonal", "ligand": "None", "name": "Cu", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "Cuvibs"}

data:
  {"frequencies": [101.31456933575771, 127.44047852962147, 129.61039713917924, 364.217720747111, 369.40252692833553, 379.36031608356484, 948.2831233088444, 949.9663273748486, 1079.543105898724, 1363.3474757702431, 1422.1427441626504, 1427.154515761378, 3005.1868690108927, 3064.626388254287, 3067.8996669392627]}


unique_id: 8170bd39012bd82c49453e7416541866
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "abs_mag": 0, "pw": 500.0, "series": "CH2C", "tot_mag": 0, "fmaxout": 0.021753943555746703, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH2C", "adsorbate": "CH2C", "ads": "CH2C", "layers": 5, "bulk": "Cu", "term": "Cu", "ligand": "None", "epot": -165633.14900715832, "surf_lattice": "hexagonal", "name": "Cu", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "Cuvibs"}

data:
  {"frequencies": [82.7591550152813, 133.60889354895994, 149.80490908544473, 287.93564509298216, 313.35783552798915, 348.5983637855052, 865.5269895853311, 938.817399021179, 1358.7219303099366, 1523.360847698256, 3078.5896748582795, 3148.366408979928]}


unique_id: 4f1b131606f6894167b65c1c6cf545f7
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "abs_mag": 0, "pw": 500.0, "series": "CH3CHCH3", "tot_mag": 0, "fmaxout": 0.025932099606160025, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH3CHCH3", "adsorbate": "CH3CHCH3", "ads": "CH3CHCH3", "layers": 5, "bulk": "Cu", "term": "Cu", "ligand": "None", "epot": -165875.6298119947, "surf_lattice": "hexagonal", "name": "Cu", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "Cu_C3_vibs"}

data:
  {"frequencies": [48.37895829814053, 49.72845685404089, 91.78333125764676, 175.40166498125524, 208.03376468046565, 245.36851669963997, 271.78803545627215, 354.4132508521672, 415.33595051776507, 857.851653364828, 906.3212130015766, 916.6127458977929, 940.9369262031513, 1082.6141074223256, 1101.399720879711, 1173.1367114863551, 1321.493612627976, 1369.2440447123327, 1382.6576517172468, 1447.2158287517, 1455.786860147718, 1459.8209478343902, 1471.3062625628033, 2957.5971679888066, 2960.3477236696667, 3046.9965666639036, 3059.1649983062325, 3067.860449778525, 3089.7474663645285, 3121.544468906415]}


unique_id: a65d5cb58144d3f0d1d3003feb008faa
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "abs_mag": 0, "pw": 500.0, "series": "CH3CH2CH2", "tot_mag": 0, "fmaxout": 0.026022820748836856, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH3CH2CH2", "adsorbate": "CH3CH2CH2", "ads": "CH3CH2CH2", "layers": 5, "bulk": "Cu", "term": "Cu", "ligand": "None", "epot": -165875.6745643828, "surf_lattice": "hexagonal", "name": "Cu", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "Cu_C3_vibs"}

data:
  {"frequencies": [85.63595763284543, 6.8231333277078985, 53.90666957142208, 72.02586254195657, 144.91686031403907, 234.36000962106033, 360.34921197382914, 373.5445985916205, 590.6281265226811, 760.0691896121333, 859.9177108016253, 963.164820460978, 978.9934802050997, 1053.472147925934, 1110.563671289604, 1181.0113347284448, 1259.823290887472, 1333.1365050632076, 1379.598086456911, 1419.873990005963, 1444.6346662966662, 1457.3545610841204, 1462.6173647582182, 2954.682863856736, 2982.7362013406932, 3027.297658132888, 3032.289383571294, 3058.731218736107, 3080.1379452235387, 3093.7811504029505]}


unique_id: 5cd1c5344aae3f3093b8fd5cedc7432c
username: mhangaard
key_value_pairs:
  {"kpts": "4x6", "abs_mag": 0, "pw": 500.0, "series": "CH3CCH3", "tot_mag": 0, "fmaxout": 0.023456770359651623, "surf_sym": 6, "supercell": "3x2", "phase": "fcc", "dw": 5000.0, "psp": "gbrv1.5pbe", "n": 1, "species": "CH3CCH3", "adsorbate": "CH3CCH3", "ads": "CH3CCH3", "layers": 5, "bulk": "Cu", "term": "Cu", "ligand": "None", "epot": -165857.8959850076, "surf_lattice": "hexagonal", "name": "Cu", "facet": "1x1x1", "xc": "BEEF-vdW", "fw_tag": "Cu_C3_vibs"}

data:
  {"frequencies": [24.75410899756522, 52.00515580315939, 57.519539806837294, 137.26945140942206, 163.89952467457937, 209.85253172116524, 309.66574834455014, 349.1953057907663, 490.42802718793865, 876.1677003567919, 915.4427908854792, 926.0746930880019, 927.5276470153093, 1146.65746993328, 1151.4755593170503, 1335.9837602966038, 1347.2154314675722, 1415.1151532556992, 1419.3353464864674, 1445.1221970801844, 1454.1439154234936, 2949.753583863813, 2965.800542324922, 2996.8553161632135, 2998.2797272620687, 3088.3202845493083, 3093.236237375859]}


unique_id: 2fcd66ffad32aaaf2c7457e07cbc8d23
username: mhangaard
data: {"frequencies": [4400]}
key_value_pairs:
  {"enrgy": -32.919510353035314, "pw": 500.0, "epot": -32.919510353035314, "xc": "BEEF-vdW", "fmaxout": 9.693059292949115e-05, "vacuum": 8.0, "dw": 8000.0, "psp": "gbrv1.5pbe", "fmaxin": 0.003}


unique_id: d4f62cf44893aae8a0e015fa8f28caaa
username: mhangaard
key_value_pairs:
  {"enrgy": -224.91106712710405, "pw": 500.0, "epot": -224.91106712710405, "xc": "BEEF-vdW", "fmaxout": 0.002672859543749217, "vacuum": 8.0, "dw": 8000.0, "psp": "gbrv1.5pbe", "fmaxin": 0.003}

data:
  {"frequencies": [23.552995581528762, 27.76474256360366, 33.5850980053078, 53.40656366687111, 57.89753719284837, 60.177324832107026, 1325.8417848412198, 1326.2077585306993, 1326.3096621770933, 1544.5344277414026, 1544.619454821669, 3007.169911444699, 3113.831746849025, 3113.900252259674, 3114.086273804366]}


unique_id: fc49536e9621f36f8ecacce66b36376a
username: mhangaard
key_value_pairs:
  {"enrgy": -476.6233475392585, "pw": 500.0, "epot": -476.6233475392585, "xc": "BEEF-vdW", "fmaxout": 6.1706478257501e-05, "vacuum": 8.0, "dw": 8000.0, "psp": "gbrv1.5pbe", "fmaxin": 0.003}

data:
  {"frequencies": [165.36363311922634, 13.185128462564089, 0.6293642545957937, 1.4699564256900925, 45.936303291749134, 93.51105509099546, 1600.6734392229107, 3857.316295963782, 3961.474832487069]}


unique_id: add08560f903d150659414c057ea1276
username: mhangaard
key_value_pairs:
  {"enrgy": -600.1723044082341, "pw": 500.0, "epot": -600.1723044082341, "xc": "BEEF-vdW", "fmaxout": 0.0001802343385771175, "vacuum": 8.0, "dw": 8000.0, "psp": "gbrv1.5pbe", "fmaxin": 0.003}

data:
  {"frequencies": [3.619419867415212, 3.5301621037511084, 0.33467624028699544, 39.152300942718455, 39.27248196527676, 2207.7656267788548]}


unique_id: 4a143ed5191a59514d9f2d8dd9069f1e
username: mhangaard
key_value_pairs:
  {"enrgy": -346.649869464296, "pw": 500.0, "epot": -346.649869464296, "xc": "BEEF-vdW", "fmaxout": 6.093514727928224e-05, "vacuum": 8.0, "dw": 8000.0, "psp": "gbrv1.5pbe", "fmaxin": 0.003}

data:
  {"frequencies": [30.916291535122955, 26.7365890385696, 0.39585013679509395, 0.25965374158359045, 2.0837801993016094, 620.8370312869248, 620.9795265219697, 747.3098668835568, 748.5025210508234, 2056.722043624447, 3449.3659838728395, 3551.105669572899]}


unique_id: b004df8a65a54f63abeffc6db9ddb033
username: mhangaard
key_value_pairs:
  {"enrgy": -607.4543694204511, "pw": 500.0, "epot": -607.4543694204511, "xc": "BEEF-vdW", "fmaxout": 0.013506123496699845, "vacuum": 8.0, "dw": 8000.0, "psp": "gbrv1.5pbe", "fmaxin": 0.003}

data:
  {"frequencies": [14.208892789488724, 39.103685112247206, 45.615859620878354, 50.64664477766543, 219.5381888938281, 270.27892142428, 368.97768825974947, 743.5588349352429, 855.6428568442963, 898.1649801650207, 918.8971094973247, 1039.0854481099946, 1157.7829206859303, 1194.601582958127, 1297.0687533991772, 1344.6614823594018, 1382.2870605307776, 1401.8657108988796, 1470.1047269235219, 1472.7139392726392, 1478.814088332602, 1489.9959071118476, 1494.387038245133, 2984.1460873432557, 2989.537759080888, 2993.796455465282, 3007.2020492698207, 3048.5546909069417, 3059.036959650618, 3059.6528288268123, 3061.2835768853506]}


unique_id: 223abcd43b42811b546b50ca16e74460
username: mhangaard
key_value_pairs:
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data:
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