{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7605507 -4.0562241 7.252616 ] [ 1.3014567 6.4667061 -3.4931694 ] [ 4.5035168 -6.5082013 3.3046581 ] [ -5.1236245 5.157811 5.2008553 ] [ 5.2660876 7.3099974 -4.4804682 ] [ -8.4036551 -4.5282023 0.9279648 ] [ -1.3043322 -3.8418867 -8.7124565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.025066412873075e-09 -6.49878742174552e-09 1.161997179484001e-08 ] [ 2.085163497723519e-09 1.036080532700475e-08 -5.596674345173964e-09 ] [ 7.215429328340029e-09 -1.042728796632017e-08 5.294645947557349e-09 ] [ -8.20895138765809e-09 8.263724198705069e-09 8.33268876982377e-09 ] [ 8.437202435804782e-09 1.171190693238879e-08 -7.178501400277858e-09 ] [ -1.346413973048668e-08 -7.254979859312789e-09 1.486763507485348e-09 ] [ -2.08977055659663e-09 -6.155381050502464e-09 -1.3958894114037e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -36.093605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.782833009138998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5927981 2.3413583 1.7707346 ] [ 1.4137081 2.1829312 3.6284113 ] [ 2.1878619 4.1463101 2.9726036 ] [ 4.6395865 1.508269 1.6927405 ] [ 3.4552081 1.3504864 3.5533335 ] [ 4.2308623 3.3176784 2.8962512 ] [ 3.0486 3.1573567 4.7517483 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5927981e-10 2.3413583e-10 1.7707346e-10 ] [ 1.4137081e-10 2.1829312e-10 3.6284113e-10 ] [ 2.1878619e-10 4.1463101e-10 2.9726036e-10 ] [ 4.6395865e-10 1.508269e-10 1.6927405e-10 ] [ 3.4552081e-10 1.3504864e-10 3.5533335e-10 ] [ 4.2308623e-10 3.3176784e-10 2.8962512e-10 ] [ 3.0486e-10 3.1573567e-10 4.7517483e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.78e-05 5.6e-06 4.5e-06 ] [ 0.0001764 -1.08e-05 2.46e-05 ] [ -2.11e-05 7.9e-06 -1.9e-06 ] [ -3.03e-05 9.5e-06 -4.77e-05 ] [ -0.0001089 -7.3e-06 3.65e-05 ] [ -2.36e-05 -1.46e-05 3.02e-05 ] [ -5.03e-05 9.7e-06 -4.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.260580868224001e-14 8.972189076479999e-15 7.2097947936e-15 ] [ 2.8262395590912e-13 -1.730350750464e-14 3.941354487168e-14 ] [ -3.380592669888e-14 1.265719530432e-14 -3.04413557952e-15 ] [ -4.854595161024e-14 1.52206778976e-14 -7.642382481215999e-14 ] [ -1.7447703400512e-13 -1.169588933184e-14 5.84794466592e-14 ] [ -3.781136825088e-14 -2.339177866368e-14 4.838573394816e-14 ] [ -8.058948402624e-14 1.554111322176e-14 -7.386034221888001e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }