{ "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" [ [ 0.6628403 2.876785 2.898563 ] [ 2.674482 0.2424727 1.042802 ] [ 2.274992 1.1385 2.859862 ] [ 1.854823 2.68523 0.2527791 ] [ 2.130586 2.70202 1.965626 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.628403e-11 2.876785e-10 2.898563e-10 ] [ 2.674482e-10 2.424727e-11 1.042802e-10 ] [ 2.274992e-10 1.1385e-10 2.859862e-10 ] [ 1.854823e-10 2.68523e-10 2.527791e-11 ] [ 2.130586e-10 2.70202e-10 1.965626e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.4325419 5.6503419 8.7643068 ] [ 1.6861507 -5.3038213 -5.3490399 ] [ 4.1532781 -15.0554568 12.1739663 ] [ -2.2780659 0.4438398 -17.2051485 ] [ 12.8711791 14.2650963 1.6159154 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.632783445249641e-08 9.052845691706651e-09 1.404196745247846e-08 ] [ 2.701511230685555e-09 -8.497658487761064e-09 -8.57010667150637e-09 ] [ 6.654285071500644e-09 -2.412150090042438e-08 1.950484418826708e-08 ] [ -3.649863925621711e-09 7.111097509405478e-10 -2.756568668409219e-08 ] [ 2.062190223614959e-08 2.285520378532058e-08 2.588981875070681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.2871996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.062321105423112e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5369032 2.6442604 3.417568 ] [ 2.3338397 0.224907 0.8129446 ] [ 2.1999057 0.9889463 3.0044338 ] [ 2.3307221 2.3361854 -0.1255086 ] [ 2.1963526 3.4507086 1.9101944 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.369032e-11 2.6442604e-10 3.417568e-10 ] [ 2.3338397e-10 2.24907e-11 8.129446e-11 ] [ 2.1999057e-10 9.889463e-11 3.0044338e-10 ] [ 2.3307221e-10 2.3361854e-10 -1.255086e-11 ] [ 2.1963526e-10 3.4507086e-10 1.9101944e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.38e-05 -2.5e-06 6.2e-06 ] [ -1.83e-05 1.01e-05 5.5e-06 ] [ 1.95e-05 7.1e-06 -5.5e-06 ] [ 1.58e-05 -7.3e-06 -1.54e-05 ] [ -3.2e-06 -7.4e-06 9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.211003736704e-14 -4.005441552e-15 9.93349504896e-15 ] [ -2.931983216064e-14 1.618198387008e-14 8.8119714144e-15 ] [ 3.12424441056e-14 1.137545400768e-14 -8.8119714144e-15 ] [ 2.531439060864e-14 -1.169588933184e-14 -2.467351996032e-14 ] [ -5.126965186560001e-15 -1.185610699392e-14 1.474002491136e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.95897 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.916038214284858e-18 } }