{ "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" [ [ 2.264039 2.962814 1.145416 ] [ 2.607686 1.947625 3.138097 ] [ 3.569117 1.227918 0.4731936 ] [ 5.155867 2.512325 3.932817 ] [ 4.543954 3.206398 1.939601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.264039e-10 2.962814e-10 1.145416e-10 ] [ 2.607686e-10 1.947625e-10 3.138097e-10 ] [ 3.569117e-10 1.227918e-10 4.731936e-11 ] [ 5.155867e-10 2.512325e-10 3.932817e-10 ] [ 4.543954e-10 3.206398e-10 1.939601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8932313 2.1788662 -1.9969783 ] [ -3.0644901 -2.0108537 5.3268273 ] [ 1.2859188 -3.3185827 -3.5697299 ] [ 0.6733156 -0.5992151 1.8905775 ] [ 4.9984869 3.7497852 -1.6506966 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.237644168226791e-09 3.490928485491337e-09 -3.199511944504929e-09 ] [ -4.909854392893054e-09 -3.221742785989177e-09 8.534518163099187e-09 ] [ 2.060269037607191e-09 -5.316955616131339e-09 -5.719337788350722e-09 ] [ 1.078770512739925e-09 -9.600484240503341e-10 3.029039070310512e-09 ] [ 8.008458850555067e-09 6.007818180461852e-09 -2.644707500554049e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9886739 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.390560070575158e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8030679 2.0331639 1.4241587 ] [ 2.3855538 2.275388 3.6699714 ] [ 3.7428379 2.257908 0.1480549 ] [ 4.6852069 2.6505394 3.7818154 ] [ 5.5239965 2.6400806 1.6051241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8030679e-10 2.0331639e-10 1.4241587e-10 ] [ 2.3855538e-10 2.275388e-10 3.6699714e-10 ] [ 3.7428379e-10 2.257908e-10 1.480549e-11 ] [ 4.6852069e-10 2.6505394e-10 3.7818154e-10 ] [ 5.5239965e-10 2.6400806e-10 1.6051241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 -1.99e-05 -2.83e-05 ] [ 1.1e-06 1.03e-05 2.73e-05 ] [ -3.54e-05 1.48e-05 -1.58e-05 ] [ 4e-06 4.5e-06 -1.68e-05 ] [ 2.75e-05 -9.7e-06 3.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 -3.188331475392e-14 -4.534159836864e-14 ] [ 1.76239428288e-15 1.650241919424e-14 4.373942174784e-14 ] [ -5.671705237632e-14 2.371221398784e-14 -2.531439060864e-14 ] [ 6.4087064832e-15 7.2097947936e-15 -2.691656722944e-14 ] [ 4.4059857072e-14 -1.554111322176e-14 5.399335212096e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.4797183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.198382979042992e-18 } }