{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.683384 0.6467413 1.642761 ] [ 3.245791 2.703982 2.222722 ] [ 3.737288 4.91418 2.043298 ] [ 4.142825 3.455017 4.506693 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.683384e-10 6.467413e-11 1.642761e-10 ] [ 3.245791e-10 2.703982e-10 2.222722e-10 ] [ 3.737288e-10 4.91418e-10 2.043298e-10 ] [ 4.142825e-10 3.455017e-10 4.506693e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3967615 -1.5261303 -0.5284263 ] [ 0.1872269 0.2035266 1.0831598 ] [ 0.2896198 1.5991705 -0.4824546 ] [ -0.0800852 -0.2765668 -0.0722789 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.356819993335393e-10 -2.44513028695449e-09 -8.466322636758471e-10 ] [ 2.999705619648596e-10 3.260855602309132e-10 1.735413308150404e-09 ] [ 4.640220724807718e-10 2.562153587773047e-09 -7.729774807174157e-10 ] [ -1.283106351120922e-10 -4.431088610494694e-10 -1.158035637571411e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5627369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708133767241468e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.982543 1.0236018 1.5944848 ] [ 2.9006488 3.0467333 2.7524096 ] [ 3.7175136 4.7554256 1.3909189 ] [ 4.2085825 2.8941596 4.6776607 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.982543e-10 1.0236018e-10 1.5944848e-10 ] [ 2.9006488e-10 3.0467333e-10 2.7524096e-10 ] [ 3.7175136e-10 4.7554256e-10 1.3909189e-10 ] [ 4.2085825e-10 2.8941596e-10 4.6776607e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 2.1e-06 1e-06 ] [ 8.2e-06 -6.1e-06 5.5e-06 ] [ -6e-07 2.9e-06 -1.8e-06 ] [ -5.5e-06 1.1e-06 -4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 3.36457090368e-15 1.6021766208e-15 ] [ 1.313784829056e-14 -9.77327738688e-15 8.8119714144e-15 ] [ -9.6130597248e-16 4.646312200320001e-15 -2.88391791744e-15 ] [ -8.8119714144e-15 1.76239428288e-15 -7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -4.48986 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.193548722665088e-19 } }