{ "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" [ [ 0.0587563 2.624587 0.4359975 ] [ 0.6130103 1.606213 2.369845 ] [ 2.872214 1.39186 0.7464612 ] [ 1.941337 0.0175427 2.118778 ] [ 2.055015 2.698548 0.547582 ] [ 2.796139 2.772611 2.055467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.87563e-12 2.624587e-10 4.359975e-11 ] [ 6.130103e-11 1.606213e-10 2.369845e-10 ] [ 2.872214e-10 1.39186e-10 7.464612e-11 ] [ 1.941337e-10 1.75427e-12 2.118778e-10 ] [ 2.055015e-10 2.698548e-10 5.47582e-11 ] [ 2.796139e-10 2.772611e-10 2.055467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.4946216 -0.0152838 -1.5764763 ] [ -6.0212083 3.8802107 4.2837793 ] [ 30.2634146 -50.3526944 -8.1686876 ] [ 0.6304819 -11.4370257 1.6973512 ] [ -30.9372801 41.1106227 -35.1460643 ] [ 14.5592135 16.8141705 38.9100976 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.360988413006269e-08 -2.448734703698304e-11 -2.525793471105287e-09 ] [ -9.647039167226913e-09 6.216782867318003e-09 6.863371043126989e-09 ] [ 4.848733533769739e-08 -8.067390976196708e-08 -1.308768029533886e-08 ] [ 1.010143360017564e-09 -1.832413518802875e-08 2.719456409926825e-09 ] [ -4.956698688736108e-08 6.586647855646977e-08 -5.631020253459351e-08 ] [ 2.332643148693574e-08 2.693927087324505e-08 6.23408486877662e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.1994921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.47392111658543e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.054623 2.6550498 0.6822608 ] [ 0.5265522 1.6561601 2.6997734 ] [ 3.3724379 1.1218737 0.7621669 ] [ 1.8314393 -0.1277391 1.9780675 ] [ 2.1101727 2.9843124 -0.1050677 ] [ 2.5504925 2.8217048 2.2569298 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.4623e-12 2.6550498e-10 6.822608e-11 ] [ 5.265522e-11 1.6561601e-10 2.6997734e-10 ] [ 3.3724379e-10 1.1218737e-10 7.621669e-11 ] [ 1.8314393e-10 -1.277391e-11 1.9780675e-10 ] [ 2.1101727e-10 2.9843124e-10 -1.050677e-11 ] [ 2.5504925e-10 2.8217048e-10 2.2569298e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -5e-05 -2e-06 ] [ 2.75e-05 4.01e-05 -2.08e-05 ] [ 4.5e-05 1.55e-05 -8.1e-06 ] [ -1.28e-05 0.0002147 -1.8e-05 ] [ -3.1e-05 -3.81e-05 7.26e-05 ] [ -2.87e-05 -0.0001823 -2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -8.010883104e-14 -3.2043532416e-15 ] [ 4.4059857072e-14 6.424728249408e-14 -3.332527371264e-14 ] [ 7.209794793600001e-14 2.48337376224e-14 -1.297763062848e-14 ] [ -2.050786074624e-14 3.4398732048576e-13 -2.88391791744e-14 ] [ -4.96674752448e-14 -6.104292925248e-14 1.1631802267008e-13 ] [ -4.598246901696e-14 -2.9207679797184e-13 -3.797158591296e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.074191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.895804626007377e-18 } }