c/a     b/a     free_energy(meV/atom)
0.8	0.8	-10027.74632
0.8	0.85	-10126.49603
0.8	0.9	-10205.89241
0.8	0.95	-10256.97102
0.8	1	-10272.38338
0.8	1.05	-10246.86156
0.8	1.1	-10177.3134
0.8	1.15	-10062.09454
0.8	1.2	-9900.582495000001
0.8	1.25	-9693.666883
0.8	1.3	-9442.892978
0.8	1.35	-9149.415238
0.8	1.4	-8814.991785
0.8	1.45	-8441.946803000001
0.8	1.5	-8032.282773
0.8	1.55	-7587.949008
0.8	1.6	-7110.993018
0.8	1.65	-6603.523298
0.8	1.7	-6067.693845
0.8	1.75	-5505.59228
0.8	1.8	-4919.217148
0.8	1.85	-4310.7109
0.8	1.9	-3682.205378
0.8	1.95	-3035.49902
0.8	2	-2372.430213
0.85	0.8	-10126.49597
0.85	0.85	-10191.78538
0.85	0.9	-10246.31677
0.85	0.95	-10280.94736
0.85	1	-10288.24289
0.85	1.05	-10262.49855
0.85	1.1	-10199.80078
0.85	1.15	-10098.0021
0.85	1.2	-9955.64724
0.85	1.25	-9772.275809999999
0.85	1.3	-9548.413377999999
0.85	1.35	-9284.934380000001
0.85	1.4	-8982.795582999999
0.85	1.45	-8643.65509
0.85	1.5	-8269.182280000001
0.85	1.55	-7860.858088
0.85	1.6	-7420.443485
0.85	1.65	-6949.897805
0.85	1.7	-6451.359738
0.85	1.75	-5926.772518
0.85	1.8	-5377.813705
0.85	1.85	-4806.401888
0.85	1.9	-4214.488835
0.85	1.95	-3604.027283
0.85	2	-2976.741828
0.9	0.8	-10205.89227
0.9	0.85	-10246.31677
0.9	0.9	-10282.91558
0.9	0.95	-10306.67514
0.9	1	-10309.66837
0.9	1.05	-10285.70179
0.9	1.1	-10230.57685
0.9	1.15	-10141.53321
0.9	1.2	-10016.72388
0.9	1.25	-9854.945603
0.9	1.3	-9656.00259
0.9	1.35	-9420.301073000001
0.9	1.4	-9148.356295
0.9	1.45	-8841.08546
0.9	1.5	-8499.659473
0.9	1.55	-8125.553543
0.9	1.6	-7720.150305
0.9	1.65	-7285.148848
0.9	1.7	-6822.328
0.9	1.75	-6333.210263
0.9	1.8	-5819.972575
0.9	1.85	-5283.993105
0.9	1.9	-4727.154543
0.9	1.95	-4151.216895
0.9	2	-3558.088155
0.95	0.8	-10256.97079
0.95	0.85	-10280.94715
0.95	0.9	-10306.67535
0.95	0.95	-10325.07225
0.95	1	-10328.19125
0.95	1.05	-10309.51424
0.95	1.1	-10264.3317
0.95	1.15	-10189.21892
0.95	1.2	-10082.02737
0.95	1.25	-9941.475925000001
0.95	1.3	-9766.588019999999
0.95	1.35	-9557.326808
0.95	1.4	-9313.984077999999
0.95	1.45	-9037.056705000001
0.95	1.5	-8727.25583
0.95	1.55	-8385.777123
0.95	1.6	-8013.79561
0.95	1.65	-7612.678793
0.95	1.7	-7183.954693
0.95	1.75	-6729.12475
0.95	1.8	-6249.984618
0.95	1.85	-5748.035578
0.95	1.9	-5224.793945
0.95	1.95	-4682.050855
0.95	2	-4121.392393
1	0.8	-10272.38366
1	0.85	-10288.24257
1	0.9	-10309.66837
1	0.95	-10328.19102
1	1	-10335.85587
1	1.05	-10326.17234
1	1.1	-10293.73037
1	1.15	-10234.66774
1	1.2	-10146.48212
1	1.25	-10027.61785
1	1.3	-9876.874393
1	1.35	-9693.695325000001
1	1.4	-9477.918645
1	1.45	-9230.29881
1	1.5	-8951.060084999999
1	1.55	-8640.977994999999
1	1.6	-8301.088873000001
1	1.65	-7932.575558
1	1.7	-7536.698098
1	1.75	-7114.775963
1	1.8	-6668.358415
1	1.85	-6198.959278
1	1.9	-5708.12687
1	1.95	-5197.249753
1	2	-4667.92752
1.05	0.8	-10246.86138
1.05	0.85	-10262.49877
1.05	0.9	-10285.70188
1.05	0.95	-10309.51426
1.05	1	-10326.17221
1.05	1.05	-10328.88415
1.05	1.1	-10311.92347
1.05	1.15	-10271.33258
1.05	1.2	-10203.9842
1.05	1.25	-10107.9926
1.05	1.3	-9982.02792
1.05	1.35	-9825.092515
1.05	1.4	-9636.986505000001
1.05	1.45	-9417.933743
1.05	1.5	-9168.458213
1.05	1.55	-8888.874313
1.05	1.6	-8580.011748000001
1.05	1.65	-8242.946449999999
1.05	1.7	-7878.786425
1.05	1.75	-7488.72902
1.05	1.8	-7074.050048
1.05	1.85	-6636.192355
1.05	1.9	-6176.555718
1.05	1.95	-5696.535585
1.05	2	-5197.455388
1.1	0.8	-10177.31336
1.1	0.85	-10199.80077
1.1	0.9	-10230.57669
1.1	0.95	-10264.33186
1.1	1	-10293.73041
1.1	1.05	-10311.92344
1.1	1.1	-10313.34631
1.1	1.15	-10293.43984
1.1	1.2	-10248.84642
1.1	1.25	-10177.10213
1.1	1.3	-10076.83683
1.1	1.35	-9946.800223
1.1	1.4	-9786.602418
1.1	1.45	-9596.214275
1.1	1.5	-9375.96299
1.1	1.55	-9126.274058000001
1.1	1.6	-8847.715582999999
1.1	1.65	-8541.315345000001
1.1	1.7	-8207.943825
1.1	1.75	-7848.784868
1.1	1.8	-7464.991158
1.1	1.85	-7057.806408
1.1	1.9	-6628.56435
1.1	1.95	-6178.434735
1.1	2	-5708.90576
1.15	0.8	-10062.09456
1.15	0.85	-10098.00207
1.15	0.9	-10141.53319
1.15	0.95	-10189.21892
1.15	1	-10234.66788
1.15	1.05	-10271.33275
1.15	1.1	-10293.43964
1.15	1.15	-10296.29545
1.15	1.2	-10276.20019
1.15	1.25	-10230.21644
1.15	1.3	-10156.63394
1.15	1.35	-10054.34146
1.15	1.4	-9922.495803
1.15	1.45	-9760.881439999999
1.15	1.5	-9569.65928
1.15	1.55	-9349.497520000001
1.15	1.6	-9100.800294999999
1.15	1.65	-8824.325733
1.15	1.7	-8521.128043000001
1.15	1.75	-8192.171903
1.15	1.8	-7838.58087
1.15	1.85	-7461.283963
1.15	1.9	-7061.601583
1.15	1.95	-6640.861813
1.15	2	-6200.268173
1.2	0.8	-9900.582495000001
1.2	0.85	-9955.647284999999
1.2	0.9	-10016.72371
1.2	0.95	-10082.0274
1.2	1	-10146.48214
1.2	1.05	-10203.98423
1.2	1.1	-10248.84643
1.2	1.15	-10276.20019
1.2	1.2	-10281.98838
1.2	1.25	-10263.09254
1.2	1.3	-10217.34532
1.2	1.35	-10143.48991
1.2	1.4	-10040.44779
1.2	1.45	-9907.816317999999
1.2	1.5	-9745.767773
1.2	1.55	-9554.790588
1.2	1.6	-9335.532963
1.2	1.65	-9088.620532999999
1.2	1.7	-8814.92649
1.2	1.75	-8515.470533
1.2	1.8	-8191.349913
1.2	1.85	-7843.435648
1.2	1.9	-7472.896463
1.2	1.95	-7080.979755
1.2	2	-6668.786658
1.25	0.8	-9693.666880000001
1.25	0.85	-9772.276448000001
1.25	0.9	-9854.945173
1.25	0.95	-9941.475938
1.25	1	-10027.61785
1.25	1.05	-10107.99259
1.25	1.1	-10177.10216
1.25	1.15	-10230.21641
1.25	1.2	-10263.09274
1.25	1.25	-10272.38338
1.25	1.3	-10255.40604
1.25	1.35	-10210.55099
1.25	1.4	-10136.76321
1.25	1.45	-10033.46374
1.25	1.5	-9900.582535
1.25	1.55	-9738.645773
1.25	1.6	-9548.359433
1.25	1.65	-9330.518937999999
1.25	1.7	-9085.772955
1.25	1.75	-8815.13355
1.25	1.8	-8519.743613000001
1.25	1.85	-8200.543505
1.25	1.9	-7858.656288
1.25	1.95	-7495.036
1.25	2	-7110.841483
1.3	0.8	-9442.892983
1.3	0.85	-9548.413372999999
1.3	0.9	-9656.002463000001
1.3	0.95	-9766.588014999999
1.3	1	-9876.87434
1.3	1.05	-9982.027985000001
1.3	1.1	-10076.83683
1.3	1.15	-10156.63393
1.3	1.2	-10217.34533
1.3	1.25	-10255.40601
1.3	1.3	-10267.79776
1.3	1.35	-10252.49248
1.3	1.4	-10208.26304
1.3	1.45	-10134.45307
1.3	1.5	-10030.87599
1.3	1.55	-9897.888873
1.3	1.6	-9736.21011
1.3	1.65	-9546.765482999999
1.3	1.7	-9330.294968
1.3	1.75	-9087.826354999999
1.3	1.8	-8820.406348
1.3	1.85	-8529.173795000001
1.3	1.9	-8215.027239999999
1.3	1.95	-7879.150903
1.3	2	-7522.382913
1.35	0.8	-9149.415209999999
1.35	0.85	-9284.934405
1.35	0.9	-9420.301074999999
1.35	0.95	-9557.326803
1.35	1	-9693.695374999999
1.35	1.05	-9825.092803
1.35	1.1	-9946.800158
1.35	1.15	-10054.34143
1.35	1.2	-10143.48977
1.35	1.25	-10210.55097
1.35	1.3	-10252.4925
1.35	1.35	-10266.90081
1.35	1.4	-10252.39793
1.35	1.45	-10208.17461
1.35	1.5	-10133.85983
1.35	1.55	-10029.69019
1.35	1.6	-9896.348683
1.35	1.65	-9734.738538
1.35	1.7	-9545.870382999999
1.35	1.75	-9330.817059999999
1.35	1.8	-9090.611833000001
1.35	1.85	-8826.3557
1.35	1.9	-8539.197173
1.35	1.95	-8230.083563
1.35	2	-7899.947498
1.4	0.8	-8814.991778
1.4	0.85	-8982.795609999999
1.4	0.9	-9148.356379999999
1.4	0.95	-9313.984195000001
1.4	1	-9477.918635
1.4	1.05	-9636.987195
1.4	1.1	-9786.60295
1.4	1.15	-9922.495943
1.4	1.2	-10040.44784
1.4	1.25	-10136.76324
1.4	1.3	-10208.26321
1.4	1.35	-10252.39783
1.4	1.4	-10267.45971
1.4	1.45	-10252.64183
1.4	1.5	-10207.42605
1.4	1.55	-10131.8167
1.4	1.6	-10026.47135
1.4	1.65	-9892.254215000001
1.4	1.7	-9730.394028000001
1.4	1.75	-9541.986358
1.4	1.8	-9328.174743
1.4	1.85	-9089.977525
1.4	1.9	-8828.67691
1.4	1.95	-8545.33518
1.4	2	-8240.889897999999
1.45	0.8	-8441.94679
1.45	0.85	-8643.655124999999
1.45	0.9	-8841.085363
1.45	0.95	-9037.056694999999
1.45	1	-9230.29882
1.45	1.05	-9417.933765
1.45	1.1	-9596.214275
1.45	1.15	-9760.881482999999
1.45	1.2	-9907.816349999999
1.45	1.25	-10033.46373
1.45	1.3	-10134.4531
1.45	1.35	-10208.17458
1.45	1.4	-10252.64182
1.45	1.45	-10266.78537
1.45	1.5	-10250.21002
1.45	1.55	-10202.78688
1.45	1.6	-10125.0087
1.45	1.65	-10017.79287
1.45	1.7	-9882.347988
1.45	1.75	-9719.833998
1.45	1.8	-9531.465173000001
1.45	1.85	-9318.488923000001
1.45	1.9	-9082.103665000001
1.45	1.95	-8823.453105000001
1.45	2	-8543.594967999999
1.5	0.8	-8032.282755
1.5	0.85	-8269.182280000001
1.5	0.9	-8499.659482999999
1.5	0.95	-8727.25576
1.5	1	-8951.060079999999
1.5	1.05	-9168.458264999999
1.5	1.1	-9375.96297
1.5	1.15	-9569.659285
1.5	1.2	-9745.767785
1.5	1.25	-9900.582483
1.5	1.3	-10030.87593
1.5	1.35	-10133.8599
1.5	1.4	-10207.42594
1.5	1.45	-10250.20988
1.5	1.5	-10261.68515
1.5	1.55	-10241.95057
1.5	1.6	-10191.25006
1.5	1.65	-10110.44818
1.5	1.7	-10000.74398
1.5	1.75	-9863.483063
1.5	1.8	-9699.819578000001
1.5	1.85	-9511.125618
1.5	1.9	-9298.58253
1.5	1.95	-9063.615813
1.5	2	-8807.240030000001
1.55	0.8	-7587.949045
1.55	0.85	-7860.85809
1.55	0.9	-8125.5536
1.55	0.95	-8385.777125000001
1.55	1	-8640.977999999999
1.55	1.05	-8888.874277999999
1.55	1.1	-9126.274065
1.55	1.15	-9349.49749
1.55	1.2	-9554.790595
1.55	1.25	-9738.645825
1.55	1.3	-9897.888242999999
1.55	1.35	-10029.69023
1.55	1.4	-10131.81645
1.55	1.45	-10202.78685
1.55	1.5	-10241.95039
1.55	1.55	-10249.22724
1.55	1.6	-10225.00543
1.55	1.65	-10170.06505
1.55	1.7	-10085.4712
1.55	1.75	-9972.628573
1.55	1.8	-9832.892347999999
1.55	1.85	-9667.665595
1.55	1.9	-9478.200123000001
1.55	1.95	-9265.851643
1.55	2	-9031.901023
1.6	0.8	-7110.99308
1.6	0.85	-7420.443488
1.6	0.9	-7720.15031
1.6	0.95	-8013.795575
1.6	1	-8301.088793000001
1.6	1.05	-8580.011858
1.6	1.1	-8847.715558
1.6	1.15	-9100.800359999999
1.6	1.2	-9335.532813
1.6	1.25	-9548.359445
1.6	1.3	-9736.210045
1.6	1.35	-9896.348728000001
1.6	1.4	-10026.47139
1.6	1.45	-10125.00918
1.6	1.5	-10191.25041
1.6	1.55	-10225.00574
1.6	1.6	-10226.65338
1.6	1.65	-10196.90496
1.6	1.7	-10136.85197
1.6	1.75	-10047.74501
1.6	1.8	-9931.149364999999
1.6	1.85	-9788.551373
1.6	1.9	-9621.215403
1.6	1.95	-9430.587519999999
1.6	2	-9218.036448000001
1.65	0.8	-6603.52326
1.65	0.85	-6949.897763
1.65	0.9	-7285.148843
1.65	0.95	-7612.678775
1.65	1	-7932.57557
1.65	1.05	-8242.946445
1.65	1.1	-8541.315350000001
1.65	1.15	-8824.325633
1.65	1.2	-9088.620548000001
1.65	1.25	-9330.518923
1.65	1.3	-9546.765487999999
1.65	1.35	-9734.738670000001
1.65	1.4	-9892.254198000001
1.65	1.45	-10017.79275
1.65	1.5	-10110.44823
1.65	1.55	-10170.06505
1.65	1.6	-10196.90496
1.65	1.65	-10191.71109
1.65	1.7	-10155.52962
1.65	1.75	-10089.60777
1.65	1.8	-9995.432283
1.65	1.85	-9874.64539
1.65	1.9	-9728.689155
1.65	1.95	-9558.938468
1.65	2	-9366.739373
1.7	0.8	-6067.69384
1.7	0.85	-6451.359698
1.7	0.9	-6822.32805
1.7	0.95	-7183.954648
1.7	1	-7536.698145
1.7	1.05	-7878.786428
1.7	1.1	-8207.943873
1.7	1.15	-8521.127963000001
1.7	1.2	-8814.926485
1.7	1.25	-9085.772873
1.7	1.3	-9330.294935
1.7	1.35	-9545.870312999999
1.7	1.4	-9730.394093000001
1.7	1.45	-9882.34801
1.7	1.5	-10000.74383
1.7	1.55	-10085.47122
1.7	1.6	-10136.8519
1.7	1.65	-10155.52955
1.7	1.7	-10142.56237
1.7	1.75	-10099.13795
1.7	1.8	-10026.84282
1.7	1.85	-9927.230208000001
1.7	1.9	-9801.868575
1.7	1.95	-9652.17741
1.7	2	-9479.525785
1.75	0.8	-5505.592248
1.75	0.85	-5926.772545
1.75	0.9	-6333.210288
1.75	0.95	-6729.12477
1.75	1	-7114.775958
1.75	1.05	-7488.72902
1.75	1.1	-7848.78495
1.75	1.15	-8192.171818000001
1.75	1.2	-8515.470504999999
1.75	1.25	-8815.133572999999
1.75	1.3	-9087.826375000001
1.75	1.35	-9330.81702
1.75	1.4	-9541.986385
1.75	1.45	-9719.833984999999
1.75	1.5	-9863.482840000001
1.75	1.55	-9972.628628
1.75	1.6	-10047.74514
1.75	1.65	-10089.60771
1.75	1.7	-10099.13787
1.75	1.75	-10077.66088
1.75	1.8	-10026.5738
1.75	1.85	-9947.49107
1.75	1.9	-9842.057335
1.75	1.95	-9711.733258
1.75	2	-9557.88478
1.8	0.8	-4919.21711
1.8	0.85	-5377.813725
1.8	0.9	-5819.972583
1.8	0.95	-6249.984618
1.8	1	-6668.358413
1.8	1.05	-7074.050043
1.8	1.1	-7464.99116
1.8	1.15	-7838.580855
1.8	1.2	-8191.349958
1.8	1.25	-8519.746013
1.8	1.3	-8820.406413000001
1.8	1.35	-9090.611848
1.8	1.4	-9328.174745
1.8	1.45	-9531.465173000001
1.8	1.5	-9699.819575
1.8	1.55	-9832.892368000001
1.8	1.6	-9931.149288000001
1.8	1.65	-9995.432255
1.8	1.7	-10026.84296
1.8	1.75	-10026.57378
1.8	1.8	-9996.060323
1.8	1.85	-9936.939350000001
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1.8	1.95	-9739.065465
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1.85	0.8	-4310.710895
1.85	0.85	-4806.401898
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1.85	0.95	-5748.035575
1.85	1	-6198.959278
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1.85	1.1	-7057.806375
1.85	1.15	-7461.283955
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1.85	1.25	-8200.543492999999
1.85	1.3	-8529.176205
1.85	1.35	-8826.355705
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1.85	1.45	-9318.488902999999
1.85	1.5	-9511.125615000001
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1.85	1.6	-9788.551310000001
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1.85	1.7	-9927.230448
1.85	1.75	-9947.491065
1.85	1.8	-9936.939270000001
1.85	1.85	-9897.040569999999
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1.85	1.95	-9735.767415
1.85	2	-9617.558535
1.9	0.8	-3682.205063
1.9	0.85	-4214.488795
1.9	0.9	-4727.15456
1.9	0.95	-5224.793945
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1.9	1.45	-9082.103675
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1.9	1.75	-9842.057457999999
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1.9	1.85	-9829.488004999999
1.9	1.9	-9779.790752999999
1.9	1.95	-9703.547755
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1.95	0.8	-3035.499108
1.95	0.85	-3604.02733
1.95	0.9	-4151.216893
1.95	0.95	-4682.050913
1.95	1	-5197.249715
1.95	1.05	-5696.535585
1.95	1.1	-6178.43473
1.95	1.15	-6640.861823
1.95	1.2	-7080.979695
1.95	1.25	-7495.036
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1.95	1.35	-8230.083554999999
1.95	1.4	-8545.335208
1.95	1.45	-8823.453100000001
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1.95	1.55	-9265.851608000001
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1.95	1.65	-9558.93845
1.95	1.7	-9652.177285
1.95	1.75	-9711.733410000001
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1.95	1.85	-9735.767343
1.95	1.9	-9703.547683000001
1.95	1.95	-9643.948012999999
1.95	2	-9558.550773000001
2	0.8	-2372.430288
2	0.85	-2976.741763
2	0.9	-3558.088095
2	0.95	-4121.392385
2	1	-4667.927453
2	1.05	-5197.455428
2	1.1	-5708.905765
2	1.15	-6200.268203
2	1.2	-6668.786665
2	1.25	-7110.841483
2	1.3	-7522.38292
2	1.35	-7899.947545
2	1.4	-8240.889955000001
2	1.45	-8543.594994999999
2	1.5	-8807.239935
2	1.55	-9031.901019999999
2	1.6	-9218.036418
2	1.65	-9366.739323
2	1.7	-9479.525777999999
2	1.75	-9557.884843
2	1.8	-9603.363138000001
2	1.85	-9617.558510000001
2	1.9	-9602.065409999999
2	1.95	-9558.550813
2	2	-9488.598415
