{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [19.955861199285405, -7.588386018871618e-25, -2.8190371276130087e-24, 2.3635194813799275e-15, 19.989457865103727, 3.3314674351261107e-13, 2.6952835883424306e-16, -3.0621472220429894e-14, 6.5506424202091615]]}, "__ase_objtype__": "cell"}, "ctime": 24.84462853233183, "dipole": {"__ndarray__": [[3], "float64", [0.01148429344581937, 0.044289189626866364, -1.661855169074533]]}, "energy": -835.6126371995173, "forces": {"__ndarray__": [[10, 3], "float64", [-0.00115835698049777, -0.005528097490574384, -0.006724397286739061, 0.0024578926396204145, -0.0033526938095259787, 0.00037446169035775147, -0.0013127627367097586, 0.0013340514769753773, -0.0033990469530229854, 0.0010303638549297443, -0.0025542513907214977, 0.0012038694877837509, -0.0003964279510098602, -0.0005412549378818824, 0.005865082336263858, 0.002267571225080893, -0.0020807103030670853, 0.0056292003640579, -0.0009421602405360032, 0.0008298879206140145, -0.0022246076702472214, -0.0021214734797055834, 0.003741344610585811, -0.0012762655392819038, 0.0006660007331892398, 0.0025943370432990535, -0.00026677854310235206, -0.001168714969112914, 0.0030366316206938003, 0.0008967638076071837]]}, "free_energy": -835.6126372008275, "initial_magmoms": {"__ndarray__": [[10], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[10], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.84462853233183, "numbers": {"__ndarray__": [[10], "int64", [40, 40, 35, 35, 35, 35, 35, 35, 1, 1]]}, "pbc": {"__ndarray__": [[3], "bool", [false, false, true]]}, "positions": {"__ndarray__": [[10, 3], "float64", [10.178105214235014, 10.419225790887014, 1.8424910529374126, 9.938146548662099, 9.59739673063044, 5.231154012189622, 10.884561301100169, 12.832120762763212, 1.916954388964041, 11.441770838283864, 8.432867902240377, 3.2597996508209466, 12.24558739911484, 9.434833787233572, 0.16095687791961377, 8.045542968933791, 9.414687069527044, 3.2614125874171545, 9.289141735304584, 7.340722626049335, -0.3082405486731888, 7.902153896393224, 10.688122019838415, 0.1662052397131821, 10.316923709418834, 10.907505575426613, 3.772030483054253, 10.334598565125296, 10.96470077266449, 6.480525049120996]]}, "stress": {"__ndarray__": [[6], "float64", [0.0005123080364133957, 0.0005849549583576471, -3.8204550642678925e-06, 3.4060808990500304e-05, 6.038745669690966e-06, 2.6362197253756893e-05]]}, "unique_id": "5df48a43af049cd35180074bb62b50d0", "user": "cmr"}, "ids": [1], "nextid": 2}