{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6014545 -4.7620594 -6.5470704 ] [ -6.7460483 -12.2349846 5.8724451 ] [ -0.0170562 4.742681 -2.2270637 ] [ -5.8297665 3.2122047 1.1291498 ] [ 2.1522278 -2.3284842 -0.1936593 ] [ -0.4673085 1.9537216 -1.6446966 ] [ 12.5094061 9.4169209 3.6108951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.565812959174954e-09 -7.629660237540874e-09 -1.04895631296117e-08 ] [ -1.080836086904759e-08 -1.960260628196804e-08 9.408694246151518e-09 ] [ -2.732704487968896e-11 7.598612618112365e-09 -3.568149393172345e-09 ] [ -9.340315591023043e-09 5.146519271563878e-09 1.809097410940996e-09 ] [ 3.448249063795818e-09 -3.730642947142192e-09 -3.102764028604935e-10 ] [ -7.487107534011168e-10 3.130207071071969e-09 -2.635094440829249e-09 ] [ 2.004227799351291e-08 1.508757050590289e-08 5.785291709381278e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.634945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.543688362169386e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.8721681 1.9295784 3.3132061 ] [ 1.9942178 1.4555827 4.9563344 ] [ 2.9401433 4.4559948 3.1105404 ] [ 1.1120957 3.8200514 4.7577732 ] [ 4.4628056 0.9348487 1.0964745 ] [ 3.5308262 3.2399757 1.0277081 ] [ 3.6328993 3.4664254 5.446883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.8721681e-10 1.9295784e-10 3.3132061e-10 ] [ 1.9942178e-10 1.4555827e-10 4.9563344e-10 ] [ 2.9401433e-10 4.4559948e-10 3.1105404e-10 ] [ 1.1120957e-10 3.8200514e-10 4.7577732e-10 ] [ 4.4628056e-10 9.348487e-11 1.0964745e-10 ] [ 3.5308262e-10 3.2399757e-10 1.0277081e-10 ] [ 3.6328993e-10 3.4664254e-10 5.446883e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 3.52e-05 2.46e-05 ] [ 1.26e-05 8e-07 -1.53e-05 ] [ 5e-06 2.68e-05 -4.19e-05 ] [ 1.6e-06 -6.2e-06 1.21e-05 ] [ -2.01e-05 3.07e-05 2.56e-05 ] [ 5.3e-06 -3.55e-05 5.4e-06 ] [ -2.1e-06 -5.18e-05 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-15 5.639661705216e-14 3.941354487168e-14 ] [ 2.018742542208e-14 1.28174129664e-15 -2.451330229824e-14 ] [ 8.010883104e-15 4.293833343744e-14 -6.713120041152e-14 ] [ 2.56348259328e-15 -9.93349504896e-15 1.938633711168e-14 ] [ -3.220375007808e-14 4.918682225856e-14 4.101572149248001e-14 ] [ 8.491536090240001e-15 -5.68772700384e-14 8.65175375232e-15 ] [ -3.36457090368e-15 -8.299274895744e-14 -1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.93878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.553674068007463e-18 } }