unit test for extract() in angle-class2_p6.yaml
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@ -23,7 +23,13 @@ angle_coeff: ! |
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3 ba 10.0 10.0 1.5 1.5
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4 ba 0.0 20.0 1.5 1.5
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equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474
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extract: ! ""
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extract: ! |
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k2 1
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k3 1
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k4 1
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k5 1
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k6 1
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theta0 1
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natoms: 29
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init_energy: 46.44080287964778
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init_stress: ! |2-
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