{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5679801 0.7633564 0.9423091 ] [ 0.2455229 2.923672 2.888178 ] [ 2.982858 0.4812947 0.275924 ] [ 2.014612 0.8507009 1.879414 ] [ 2.889268 2.773535 0.4342581 ] [ 2.382569 2.78537 2.868502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.679801e-11 7.633564000000001e-11 9.423091e-11 ] [ 2.455229e-11 2.923672e-10 2.888178e-10 ] [ 2.982858e-10 4.812947e-11 2.75924e-11 ] [ 2.014612e-10 8.507009e-11 1.879414e-10 ] [ 2.889268e-10 2.773535e-10 4.342581e-11 ] [ 2.382569e-10 2.78537e-10 2.868502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.209053 -1.0370719 -6.0527563 ] [ -3.223534 0.6108379 0.1723048 ] [ 8.5818825 -4.3526839 -9.7667797 ] [ 5.3037591 -4.7237868 15.0685245 ] [ 2.3001812 5.0637696 -2.2568255 ] [ 3.2467642 4.438935 2.8355322 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.59697657619081e-08 -1.661572352268635e-09 -9.69758463525991e-09 ] [ -5.164670811153907e-09 9.786702024785683e-10 2.760627222116198e-10 ] [ 1.374969150395266e-08 -6.973768382312565e-09 -1.564810609584404e-08 ] [ 8.49755883237525e-09 -7.568340772603646e-09 2.414243766385201e-08 ] [ 3.685296542243689e-09 8.113053266237768e-09 -3.615833053325271e-09 ] [ 5.201889694490416e-09 7.111957878250848e-09 4.54302339836559e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7160317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.076026897429168e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2026652 0.687321 0.8969009 ] [ 0.205598 2.3029579 2.6878997 ] [ 2.3311571 0.819914 -0.2300118 ] [ 2.3580328 0.8159907 2.4015569 ] [ 3.6494842 2.5176309 0.8643969 ] [ 2.3358727 3.4341144 2.6678425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026652e-11 6.87321e-11 8.969009e-11 ] [ 2.05598e-11 2.3029579e-10 2.6878997e-10 ] [ 2.3311571e-10 8.19914e-11 -2.300118e-11 ] [ 2.3580328e-10 8.159907e-11 2.4015569e-10 ] [ 3.6494842e-10 2.5176309e-10 8.643969e-11 ] [ 2.3358727e-10 3.4341144e-10 2.6678425e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 -9.2e-06 1.4e-06 ] [ -3.04e-05 3e-07 1.09e-05 ] [ -1.48e-05 -3.1e-06 -1.59e-05 ] [ 2.18e-05 1.14e-05 -1.33e-05 ] [ 3.95e-05 -2.15e-05 -8e-07 ] [ -1.2e-05 2.21e-05 1.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-15 -1.474002491136e-14 2.24304726912e-15 ] [ -4.870616927232e-14 4.8065298624e-16 1.746372516672e-14 ] [ -2.371221398784e-14 -4.96674752448e-15 -2.547460827072e-14 ] [ 3.492745033344e-14 1.826481347712e-14 -2.130894905664e-14 ] [ 6.32859765216e-14 -3.44467973472e-14 -1.28174129664e-15 ] [ -1.92261194496e-14 3.540810331968e-14 2.835852618816e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.712533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.517425302614849e-18 } }