{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1319661 -5.4588614 -3.7270835 ] [ 9.5460625 2.9032835 -1.0839102 ] [ -1.7462479 4.6435908 -1.287553 ] [ -3.3441681 0.0067412 4.1058527 ] [ 0.8379444 0.8850142 2.6347236 ] [ 2.2369794 0.564667 -7.6988919 ] [ -2.3986043 -3.5444353 7.0568624 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.222316171900106e-09 -8.746060183324527e-09 -5.971446096666939e-09 ] [ 1.529447828420362e-08 4.651572985577739e-09 -1.736615595794267e-09 ] [ -2.797797582551568e-09 7.439852677617366e-09 -2.062887331636602e-09 ] [ -5.357947989988175e-09 1.08005931251208e-11 6.578301258585811e-09 ] [ 1.34253493827115e-09 1.417949071998202e-09 4.221292588968362e-09 ] [ 3.58403612541934e-09 9.046962733908779e-10 -1.233498470987186e-08 ] [ -3.842987763671926e-09 -5.678811418384779e-09 1.130634004663316e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.217337 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.918739167510366e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5442924 2.274213 1.9582911 ] [ 2.7692221 2.7003104 4.1698273 ] [ 1.7832581 4.5731667 2.7230409 ] [ 3.6561601 1.1278641 2.3494796 ] [ 5.2003276 2.7183323 3.3560081 ] [ 3.7215184 3.5161782 1.4196503 ] [ 4.0428104 4.8476474 3.5868776 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5442924e-10 2.274213e-10 1.9582911e-10 ] [ 2.7692221e-10 2.7003104e-10 4.1698273e-10 ] [ 1.7832581e-10 4.5731667e-10 2.7230409e-10 ] [ 3.6561601e-10 1.1278641e-10 2.3494796e-10 ] [ 5.2003276e-10 2.7183323e-10 3.3560081e-10 ] [ 3.7215184e-10 3.5161782e-10 1.4196503e-10 ] [ 4.0428104e-10 4.8476474e-10 3.5868776e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.27e-05 2.29e-05 -9.4e-06 ] [ 2.8e-06 6e-06 -5.4e-06 ] [ -9.5e-06 -1.2e-06 -5.1e-06 ] [ 1.28e-05 -8e-07 1.46e-05 ] [ -8.3e-06 -7.9e-06 -2.41e-05 ] [ -1.76e-05 -7.7e-06 3.58e-05 ] [ -3.1e-06 -1.14e-05 -6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.636940959179999e-14 3.66898449186e-14 -1.50604603596e-14 ] [ 4.486094575199999e-15 9.613059803999999e-15 -8.6517538236e-15 ] [ -1.5220678023e-14 -1.9226119608e-15 -8.1711008334e-15 ] [ 2.05078609152e-14 -1.2817413072e-15 2.33917788564e-14 ] [ -1.32980660622e-14 -1.26571954086e-14 -3.86124568794e-14 ] [ -2.81983087584e-14 -1.23367600818e-14 5.735792349719999e-14 ] [ -4.9667475654e-15 -1.82648136276e-14 -1.02539304576e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }