{ "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" [ [ -19.308979 0.701295 -9.8510699 ] [ -1.1772962 -0.3295635 -0.8303636 ] [ 1.0475056 -1.9048746 -0.8846247 ] [ 17.3510438 -6.1526697 12.0871966 ] [ 1.4739758 4.5954665 -1.9091813 ] [ 0.6137501 3.0903463 1.3880429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.093639472531816e-08 1.123598453283936e-09 -1.578315388364659e-08 ] [ -1.886236447396681e-09 -5.280189347690209e-10 -1.330389146683323e-09 ] [ 1.678288982477077e-09 -3.051945549675752e-09 -1.417325012522214e-09 ] [ 2.779943672283679e-08 -9.85766354884455e-09 1.936582380353325e-08 ] [ 2.361569566384977e-09 7.362748987969602e-09 -3.058845643728551e-09 ] [ 9.83336061233662e-10 4.951280592035784e-09 2.223889883047433e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9122872 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.107470494809509e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1536981 0.6141043 1.6815307 ] [ 0.0184299 3.0521175 2.3245562 ] [ 3.1449778 0.7605699 0.1520173 ] [ 2.2387552 0.300566 1.9051944 ] [ 3.4155665 3.2184075 0.4846473 ] [ 2.4187787 2.6321638 2.7406393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.536981e-11 6.141043000000001e-11 1.6815307e-10 ] [ 1.84299e-12 3.0521175e-10 2.3245562e-10 ] [ 3.1449778e-10 7.605699e-11 1.520173e-11 ] [ 2.2387552e-10 3.00566e-11 1.9051944e-10 ] [ 3.4155665e-10 3.2184075e-10 4.846473e-11 ] [ 2.4187787e-10 2.6321638e-10 2.7406393e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.4e-06 -6.8e-06 2.08e-05 ] [ 2.5e-06 1.78e-05 4e-06 ] [ 6.4e-05 1.37e-05 -3.98e-05 ] [ -5.48e-05 -2.4e-05 4.32e-05 ] [ -7.9e-06 2.25e-05 4e-07 ] [ -4e-07 -2.32e-05 -2.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.44740051072e-15 -1.089480102144e-14 3.332527371264e-14 ] [ 4.005441552e-15 2.851874385024e-14 6.4087064832e-15 ] [ 1.025393037312e-13 2.194981970496e-14 -6.376662950784e-14 ] [ -8.779927881984e-14 -3.84522388992e-14 6.921403001856e-14 ] [ -1.265719530432e-14 3.604897396800001e-14 6.408706483200001e-16 ] [ -6.408706483200001e-16 -3.717049760256e-14 -4.582225135488e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.768929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.366243275805512e-18 } }