{ "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" [ [ 0.3325294 1.292007 2.781643 ] [ 0.956748 2.703021 0.8878135 ] [ 2.470464 0.5148963 2.530425 ] [ 2.599779 2.407063 2.409401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.325294e-11 1.292007e-10 2.781643e-10 ] [ 9.567480000000001e-11 2.703021e-10 8.878135e-11 ] [ 2.470464e-10 5.148963e-11 2.530425e-10 ] [ 2.599779e-10 2.407063e-10 2.409401e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4197618 0.6333162 -0.4654716 ] [ -1.2023468 0.381267 -0.4905881 ] [ 0.3011077 -12.4099072 1.1733185 ] [ 1.3210008 11.3953241 -0.2172588 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.725325422649255e-10 1.014684409213897e-09 -7.457677151663693e-10 ] [ -1.926371933053694e-09 6.108570736825537e-10 -7.860087842626925e-10 ] [ 4.824277172828601e-10 -1.988286318213759e-08 1.879863469452125e-09 ] [ 2.116476597818097e-09 1.82573218594588e-08 -3.480869700230631e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0855468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.295447404934425e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.469925 1.2639881 2.5366787 ] [ 0.721767 2.9888338 0.9374406 ] [ 2.550445 0.1918212 2.8801638 ] [ 2.6173835 2.4723442 2.2549994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.69925e-11 1.2639881e-10 2.5366787e-10 ] [ 7.217670000000001e-11 2.9888338e-10 9.374406e-11 ] [ 2.550445e-10 1.918212e-11 2.8801638e-10 ] [ 2.6173835e-10 2.4723442e-10 2.2549994e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.3e-06 -5.1e-06 1.12e-05 ] [ -1.12e-05 2.69e-05 -2.54e-05 ] [ 1.18e-05 3e-06 3.6e-06 ] [ -7e-06 -2.49e-05 1.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.009371271104e-14 -8.17110076608e-15 1.794437815296e-14 ] [ -1.794437815296e-14 4.309855109952001e-14 -4.069528616832e-14 ] [ 1.890568412544e-14 4.8065298624e-15 5.76783583488e-15 ] [ -1.12152363456e-14 -3.989419785791999e-14 1.698307218048e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.547071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.689827057411768e-18 } }