rename k and chi in improper-distance.yaml
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@ -14,8 +14,8 @@ improper_coeff: ! |
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1 75.0 120.2
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1 75.0 120.2
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2 45.0 59.5
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2 45.0 59.5
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extract: ! |
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extract: ! |
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k 1
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k2 1
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chi 1
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k4 1
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natoms: 29
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natoms: 29
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init_energy: 0.0747454910197192
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init_energy: 0.0747454910197192
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init_stress: ! |-
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init_stress: ! |-
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