{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [0.0, 0.0, 3.376709, -8.457238, 8.457238, 1.688355, -8.457238, -8.457238, -1.688355]]}, "__ase_objtype__": "cell"}, "ctime": 24.988437535865028, "dipole": {"__ndarray__": [[3], "float64", [-0.0001108340173512268, 0.0004173571234386952, -0.0001986711567291998]]}, "energy": -267.282965858112, "forces": {"__ndarray__": [[29, 3], "float64", [8.711151298268934e-06, -6.411797384207681e-06, -1.5643739886025656e-05, 0.07419053881131345, 0.019653133424471336, -0.00010408121932088956, 0.1306101324277102, -0.06205219598934097, -0.00015192370095819862, 0.06189278118905185, 0.1302063716173439, 4.530343977480008e-06, -0.0623714205872848, 0.13598986797710605, -0.0004916449158455299, 0.11789618891513542, 0.044326936480376, -0.002294739163053222, 0.04522328553034233, -0.11763554475726613, -0.00019545296330136328, 0.04565832424805224, 0.06926238089494223, 0.0010617877107686657, -0.02094777009018223, 0.07475724871138123, -0.002159386604084771, -0.135749170605658, -0.06224441980245272, 0.0017178527820160025, 0.06909523923933707, -0.04533101348287852, 0.0003778921999565567, -0.06912618308641398, 0.04531162884669473, -0.0002873937417336951, 0.1357407361809039, 0.06221513191147417, -0.0018058913991699586, 0.02092798766780644, -0.07476362857286153, 0.0021878700159273304, -0.0457138542586158, -0.06927478203267978, -0.00115317585256369, -0.04513143819665332, 0.11762755107940166, 0.0001422481356383002, -0.11793532485745765, -0.04431203552613639, 0.0023504157358445734, 0.06240459347103779, -0.13597019258287502, 0.0005792680173017998, -0.061729104062136116, -0.1302263057045682, -5.023586854931654e-05, -0.1305882493235692, 0.06206883475417155, 0.0002118367519924377, -0.07412751632993524, -0.01967214184141334, 7.741412174059145e-05, -0.0221575641020578, 0.024156586710010725, 1.2279113251436626e-05, -0.008018469184065237, -0.08026501265441612, -0.0012088687467530933, 0.02368720208295875, 0.021651487158726, 0.0007243805561035916, -0.07996295852536484, 0.0073744861021197506, 0.0008597840526520526, 0.07995508344819378, -0.0073711345274545485, -0.0007848557809542796, -0.023800120868091513, -0.02162177077508113, -0.0007634768386432822, 0.008059005246376174, 0.08027103889047414, 0.0011336063637576342, 0.022009215660740843, -0.024128922589455797, 2.556450347050812e-05]]}, "mtime": 24.988437535865028, "numbers": {"__ndarray__": [[29], "int64", [41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[29, 3], "float64", [0.0, 0.0, 0.0, -3.3533499997345224, 3.2431300001849053, 3.3767100001210824, -2.2901099997448013, 0.8308499997116292, 1.688350000018282, -9.288099999686628, 6.167130000391986, 3.3767099999344232, -5.323779999942645, 1.9580499992203928, 1.6883499999694214, -8.118970000287815, 3.7525199995579293, 1.6883499998627058, -4.704720000578858, -0.3382699998489723, 9.257251102157515e-11, -7.617689999945539, 1.3696600000902266, 3.3767100001157986, -11.700370000321692, 5.103890000402265, 1.688350000235496, -10.41528999935718, 3.1334600001941424, 3.376710000053034, -7.087580000046561, -0.8395500001912476, 1.6883500000313743, -9.826890000388802, 0.8395500001912485, 1.688350000026128, -6.499179999386736, -3.133460000194143, 1.2817173981729946e-10, -5.21410000011367, -5.103890000402265, 1.6883499998220062, -9.296780000489823, -1.3696600000902268, 6.540678926082637e-11, -12.209759999694716, 0.33826999984897244, 3.3767100000886336, -8.795500000147548, -3.7525199995579293, 1.6883500001947962, -11.590699999485205, -1.9580500000661165, 1.6883499999192455, -7.626390000425158, -6.167130000391986, -9.088816373117732e-11, -14.624370000528774, -0.8308499997116289, 1.6883500000392206, -13.561130000539054, -3.243130000184905, 6.012338177588099e-11, -7.373970000297817, 6.13373000034907, 1.6883500001710248, -6.1624800003543605, 3.6010199997506778, 3.376710000006615, -2.3235099997877176, -1.0832600000007586, -5.4731763221934915e-11, -4.85622000038611, -2.2947599997824275, 1.6883500001040466, -12.058250000049252, 2.294759999782428, 1.6883499999534557, -14.590960000647646, 1.0832600000007582, 3.3767099998982664, -10.751999999919216, -3.601019999750677, 1.745910154970742e-10, -9.540500000137545, -6.133730000349069, 1.6883499998864775]]}, "stress": {"__ndarray__": [[6], "float64", [0.014954783588926279, 0.014954499310919314, 0.013687489413764848, 5.596906849527664e-05, 1.6123237282141148e-05, 4.039589828139092e-06]]}, "unique_id": "efc1d3a78f4e6db1d7aefc67e947c751", "user": "cmr"}, "ids": [1], "nextid": 2}