{ "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" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -37.9768774 0.3901063 4.6618458 ] [ -2.6403676 -12.6623182 -23.9300874 ] [ 0.0487646 18.3215336 19.6953344 ] [ 5.4256943 0.3021472 -19.4647823 ] [ 35.1427862 -6.351469 19.0376895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.084566510126789e-08 6.250191934867911e-10 7.469100350534673e-09 ] [ -4.230335239037806e-09 -2.028727018517034e-08 -3.834022656598066e-08 ] [ 7.812950204266368e-11 2.935433279112165e-08 3.155540431451799e-08 ] [ 8.692920559067821e-09 4.840931798801818e-10 -3.118601913002165e-08 ] [ 5.630495043941288e-08 -1.017617513953596e-08 3.050174103094964e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.8757641 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.582271835355595e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1886406 0.6756811 2.6080618 ] [ 0.4980774 1.2724129 0.262629 ] [ 0.6348709 3.2631917 2.0562473 ] [ 2.8829496 0.6793376 0.4119084 ] [ 2.5699888 0.0758074 2.7840826 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.886406e-11 6.756811e-11 2.6080618e-10 ] [ 4.980774e-11 1.2724129e-10 2.62629e-11 ] [ 6.348709e-11 3.2631917e-10 2.0562473e-10 ] [ 2.8829496e-10 6.793376e-11 4.119084e-11 ] [ 2.5699888e-10 7.58074e-12 2.7840826e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.45e-05 -4.4e-05 5.01e-05 ] [ -3.72e-05 4.29e-05 -2.97e-05 ] [ -2.7e-06 2.78e-05 -2.76e-05 ] [ 4.55e-05 -8.2e-06 -1.24e-05 ] [ 1.89e-05 -1.85e-05 1.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.92533272096e-14 -7.04957713152e-14 8.026904870208e-14 ] [ -5.960097029376001e-14 6.873337703232e-14 -4.758464563776e-14 ] [ -4.32587687616e-15 4.454051005824e-14 -4.422007473408001e-14 ] [ 7.28990362464e-14 -1.313784829056e-14 -1.986699009792e-14 ] [ 3.028113813312e-14 -2.96402674848e-14 3.156287942976e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.065358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933083450918225e-18 } }