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- Date: 2022
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https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/Carbon_GAP_V1…
https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_63513 Jul 2022: 2.59524703831831748957e00 4.30910444640182710430e00 2.96128073166256955417e00 3.94840583191444549627e00 2.65936302102589960938e00 3.79536605019858441779e00 3.26458135332847820820e00 3.58562024951276736573e00 1.48282118510628246888e00 -
https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/Carbon_GAP_V1…
https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_63523 Jul 2022: 4.82119832054647723396e00 1.41857861918271328794e-02 3.67293968493303690792e00 4.71918541650110334729e00 2.92108915305325418394e-04 4.41413094743189571290e00 4.02714759635127350634e00 4.55552948034157689783e-01 3.25695371638222708199e00 -
https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.quip/Carbon_GAP_2…
https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.quip/Carbon_GAP_20.xml18 Jun 2022: value=".00000000000000000E000"/ e0 Z="24" value=".00000000000000000E000"/ e0 Z="25" value=".00000000000000000E000"/ e0 Z="26" value=".00000000000000000E000"/ e0 Z="27" value=".00000000000000000E000"/ e0 Z="28" value=".00000000000000000E000"/ e0 Z="29 -
https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/Carbon_GAP_V1…
https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml3 Jul 2022: GAP_2021_4_21_0_21_17_24_635 Potential label="GAP_2021_4_21_0_21_17_24_635" init_args="Sum init_args_pot1={IP Glue} ... IP GAP label=GAP_2021_4_21_0_21_17_24_635}"/ quip Glue_params n_types="1" per_type_data atomic_num="6" type="1"! --
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