{ "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" [ [ 1.63984 2.632724 3.733643 ] [ 2.059322 3.100925 1.548727 ] [ 0.4497259 4.960249 3.35449 ] [ 2.730005 4.489518 3.533282 ] [ 4.056337 2.434117 2.913545 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.63984e-10 2.632724e-10 3.733643e-10 ] [ 2.059322e-10 3.100925e-10 1.548727e-10 ] [ 4.497259e-11 4.960249e-10 3.35449e-10 ] [ 2.730005e-10 4.489518e-10 3.533282e-10 ] [ 4.056337e-10 2.434117e-10 2.913545e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2028499 -3.8224153 2.3435712 ] [ 0.9074918 0.1103618 -2.1491621 ] [ -0.3866419 -0.6428012 0.3144103 ] [ 3.3153566 4.1679623 -0.3952472 ] [ -0.6333567 0.1868925 -0.1135722 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.131531229711617e-09 -6.124184428648218e-09 3.7548149858202e-09 ] [ 1.453962145527709e-09 1.768190957894054e-10 -3.443337270929432e-09 ] [ -6.194686128016916e-10 -1.029881054462185e-09 5.037408319987143e-10 ] [ 5.311786834134977e-09 6.677811753435796e-09 -6.332558232766619e-10 ] [ -1.014749297367039e-09 2.99434794102864e-10 -1.819627236128218e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.596335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.857937682396477e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2177711 2.4201432 3.3972433 ] [ 2.3926523 3.0382968 1.3527153 ] [ 0.8424311 4.6215597 4.0381613 ] [ 2.8378762 4.8869183 2.8781341 ] [ 3.6444992 2.6506151 3.417433 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2177711e-10 2.4201432e-10 3.3972433e-10 ] [ 2.3926523e-10 3.0382968e-10 1.3527153e-10 ] [ 8.424311e-11 4.6215597e-10 4.0381613e-10 ] [ 2.8378762e-10 4.8869183e-10 2.8781341e-10 ] [ 3.6444992e-10 2.6506151e-10 3.417433e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 9.8e-06 -1.51e-05 ] [ -1.42e-05 -1.99e-05 1e-07 ] [ -2.17e-05 -3.9e-06 1.09e-05 ] [ 1.9e-05 2.29e-05 4e-07 ] [ 1.43e-05 -8.9e-06 3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 1.570133088384e-14 -2.419286697408e-14 ] [ -2.275090801536e-14 -3.188331475392e-14 1.6021766208e-16 ] [ -3.476723267136e-14 -6.24848882112e-15 1.746372516672e-14 ] [ 3.04413557952e-14 3.668984461632e-14 6.408706483200001e-16 ] [ 2.291112567744e-14 -1.425937192512e-14 5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.004913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.243834418493799e-18 } }