{ "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" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.60403 -17.0670566 -19.6347246 ] [ -7.9650572 -2.5812789 7.8758171 ] [ -11.3812574 19.2811087 22.4803723 ] [ 22.556689 -21.6342843 5.097127 ] [ 13.3936556 22.0015112 -15.8185918 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.660258867706182e-08 -2.734443907039034e-08 -3.145829670996663e-08 ] [ -1.276142842917471e-08 -4.135664705344342e-09 1.261845002731686e-08 ] [ -1.8234784521587e-08 3.089174158224348e-08 3.601752692593992e-08 ] [ 3.613979975845653e-08 -3.466194451320049e-08 8.166497712648442e-09 ] [ 2.1459001869367e-08 3.525030686690936e-08 -2.534417795593859e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.7471958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.401455260831995e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4496666 -0.4112868 0.8593945 ] [ 0.0097518 0.8577189 2.9569778 ] [ 1.298926 2.9627709 3.270996 ] [ 2.2540049 1.1607551 1.5710955 ] [ 2.8892401 3.5724321 1.4535777 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.496666000000001e-11 -4.112868e-11 8.593945e-11 ] [ 9.7518e-13 8.577189e-11 2.9569778e-10 ] [ 1.298926e-10 2.9627709e-10 3.270996e-10 ] [ 2.2540049e-10 1.1607551e-10 1.5710955e-10 ] [ 2.8892401e-10 3.5724321e-10 1.4535777e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.11e-05 -3.95e-05 -2.27e-05 ] [ 1.71e-05 1.59e-05 1.21e-05 ] [ -6e-07 1.55e-05 -1.42e-05 ] [ 2.8e-05 2.46e-05 -5e-06 ] [ -1.34e-05 -1.66e-05 2.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.982769290688e-14 -6.32859765216e-14 -3.636940929216e-14 ] [ 2.739722021568e-14 2.547460827072e-14 1.938633711168e-14 ] [ -9.6130597248e-16 2.48337376224e-14 -2.275090801536e-14 ] [ 4.48609453824e-14 3.941354487168e-14 -8.010883104e-15 ] [ -2.146916671872e-14 -2.659613190528e-14 4.774486329984001e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.346148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657635644093668e-18 } }