{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.715482 1.558119 0.3191032 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.842985 1.188798 1.171985 ] [ 3.145034 3.056438 0.3971002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.715482e-10 1.558119e-10 3.191032e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.842985e-10 1.188798e-10 1.171985e-10 ] [ 3.145034e-10 3.056438e-10 3.971002e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.6632258 -8.8015501 -5.9087751 ] [ -1.8945001 -0.3771055 6.8489144 ] [ -1.9766624 1.8302844 -0.4695682 ] [ 14.361329 -11.106072 6.1926017 ] [ 8.1730593 18.4544432 -6.6631727 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.990178404547138e-08 -1.41016377970199e-08 -9.466901322785183e-09 ] [ -3.035323768323262e-09 -6.041896156750944e-10 1.097317052954046e-08 ] [ -3.166962284494418e-09 2.932438875094956e-09 -7.523311919111386e-10 ] [ 2.300938556741704e-08 -1.779388890732149e-08 9.921641665666336e-09 ] [ 1.309468453087201e-08 2.956727744492154e-08 -1.067557952029281e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.6595782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.863290634029347e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.06614 1.568115 -0.2843216 ] [ 2.0799604 1.9988587 3.0300253 ] [ 1.3091364 3.1780058 0.9852637 ] [ 4.4556366 2.0836066 2.0160197 ] [ 3.5519242 3.3089909 -0.0722714 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.614000000000001e-12 1.568115e-10 -2.843216e-11 ] [ 2.0799604e-10 1.9988587e-10 3.0300253e-10 ] [ 1.3091364e-10 3.1780058e-10 9.852637e-11 ] [ 4.4556366e-10 2.0836066e-10 2.0160197e-10 ] [ 3.5519242e-10 3.3089909e-10 -7.22714e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.88e-05 -8.4e-06 -5.87e-05 ] [ 2.82e-05 3.25e-05 8.7e-06 ] [ -8.6e-06 -3.5e-06 1.15e-05 ] [ 4.61e-05 -1.55e-05 1.87e-05 ] [ -2.69e-05 -5.1e-06 1.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.216445288704e-14 -1.345828361472e-14 -9.404776764096e-14 ] [ 4.518138070656001e-14 5.207074017599999e-14 1.393893660096e-14 ] [ -1.377871893888e-14 -5.6076181728e-15 1.84250311392e-14 ] [ 7.386034221888001e-14 -2.48337376224e-14 2.996070280896e-14 ] [ -4.309855109952001e-14 -8.17110076608e-15 3.188331475392e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196935810426e-18 } }