{ "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" [ [ 0.0795215 1.172985 2.972487 ] [ 0.7048054 0.2310616 1.565444 ] [ 0.5328429 2.146868 1.561816 ] [ 2.937455 0.8293126 0.8336996 ] [ 1.506301 0.8690976 0.2004578 ] [ 2.979161 2.931887 0.4386378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.95215e-12 1.172985e-10 2.972487e-10 ] [ 7.048054e-11 2.310616e-11 1.565444e-10 ] [ 5.328429e-11 2.146868e-10 1.561816e-10 ] [ 2.937455e-10 8.293126e-11 8.336996000000001e-11 ] [ 1.506301e-10 8.690976e-11 2.004578e-11 ] [ 2.979161e-10 2.931887e-10 4.386378e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3145427 8.9493773 -1.4879083 ] [ -2.4051145 -34.1883729 7.955847 ] [ -6.6498733 20.5009204 8.7386252 ] [ 42.1396592 -4.0653975 20.0227912 ] [ -33.3397758 7.1224279 -34.7616918 ] [ -0.0594383 1.6810448 -0.4676633 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.039529643352717e-10 1.433848319891001e-08 -2.383891911794662e-09 ] [ -3.853418253994592e-09 -5.477581221485881e-08 1.2746672167079e-08 ] [ -1.065427162032047e-08 3.284609564037392e-08 1.400082110872357e-08 ] [ 6.751517733496312e-08 -6.513484882422015e-09 3.208004820810082e-08 ] [ -5.341620976955865e-08 1.141138755872969e-08 -5.569437036026939e-08 ] [ -9.523065542468219e-11 2.693330699267203e-09 -7.492792118393322e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 9.9654246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.59663704420088e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0015097 1.6170655 2.8401581 ] [ 0.5617741 -0.631524 2.0501001 ] [ 0.5914402 2.6271776 1.2044489 ] [ 3.2689081 0.968358 0.148286 ] [ 1.317367 0.5018025 0.0024207 ] [ 3.002107 3.0983323 1.3271284 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.5097e-13 1.6170655e-10 2.8401581e-10 ] [ 5.617741e-11 -6.31524e-11 2.0501001e-10 ] [ 5.914402e-11 2.6271776e-10 1.2044489e-10 ] [ 3.2689081e-10 9.68358e-11 1.48286e-11 ] [ 1.317367e-10 5.018025e-11 2.4207e-13 ] [ 3.002107e-10 3.0983323e-10 1.3271284e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 6.2e-06 -6.2e-06 ] [ 7.9e-06 -1.03e-05 7.9e-06 ] [ -3e-06 2.02e-05 -2.7e-06 ] [ -1.74e-05 -1e-07 -5.3e-06 ] [ 1.35e-05 -6.2e-06 -6e-06 ] [ -4.8e-06 -9.8e-06 1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.088271209199999e-15 9.9334951308e-15 -9.9334951308e-15 ] [ 1.26571954086e-14 -1.65024193302e-14 1.26571954086e-14 ] [ -4.806529901999999e-15 3.236396800679999e-14 -4.3258769118e-15 ] [ -2.78778734316e-14 -1.602176634e-16 -8.4915361602e-15 ] [ 2.162938455899999e-14 -9.9334951308e-15 -9.613059803999999e-15 ] [ -7.690447843199998e-15 -1.57013310132e-14 1.97067725982e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.621161 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.342568251615207e-18 } }