{ "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" [ [ 0.9561271 0.2009027 2.827783 ] [ 0.6408175 2.004915 2.928704 ] [ 2.494403 2.793601 0.1007886 ] [ 2.213716 1.735143 2.110523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.561271000000001e-11 2.009027e-11 2.827783e-10 ] [ 6.408175e-11 2.004915e-10 2.928704e-10 ] [ 2.494403e-10 2.793601e-10 1.007886e-11 ] [ 2.213716e-10 1.735143e-10 2.110523e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7307652 -21.2048883 1.6462669 ] [ -17.554566 17.6566623 8.3050579 ] [ -0.4466162 0.307462 -1.0351781 ] [ 20.7319474 3.2407641 -8.9161467 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.375168160334236e-09 -3.397397628093546e-08 2.637610338776892e-09 ] [ -2.812551523349058e-08 2.828909153842076e-08 1.330616960177034e-08 ] [ -7.15558034110537e-10 4.926084281844096e-10 -1.658538150184164e-09 ] [ 3.321624142793534e-08 5.192276474547954e-09 -1.428524179036307e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.4858985 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.585025079181789e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9624717 -0.0577344 2.5506461 ] [ 0.2920312 2.3021171 3.2916929 ] [ 2.4803905 2.5855562 -0.0618399 ] [ 2.5701702 1.9046228 2.1872995 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.624717000000001e-11 -5.77344e-12 2.5506461e-10 ] [ 2.920312e-11 2.3021171e-10 3.2916929e-10 ] [ 2.4803905e-10 2.5855562e-10 -6.18399e-12 ] [ 2.5701702e-10 1.9046228e-10 2.1872995e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.12e-05 -4.19e-05 -3.26e-05 ] [ 2.7e-06 2.01e-05 2.52e-05 ] [ 2e-06 -3.1e-05 3.9e-06 ] [ 6.5e-06 5.27e-05 3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.794437815296e-14 -6.713120041152e-14 -5.223095783807999e-14 ] [ 4.32587687616e-15 3.220375007808e-14 4.037485084416e-14 ] [ 3.2043532416e-15 -4.96674752448e-14 6.24848882112e-15 ] [ 1.04141480352e-14 8.443470791616e-14 5.44740051072e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.0569682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.130650946376906e-18 } }