{ "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" [ [ 2.180035 1.415878 2.755479 ] [ 0.3300308 2.592052 2.653614 ] [ 2.100058 3.620481 1.423788 ] [ 2.171562 4.236408 3.751897 ] [ 3.719666 3.140383 2.648489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.180035e-10 1.415878e-10 2.755479e-10 ] [ 3.300308e-11 2.592052e-10 2.653614e-10 ] [ 2.100058e-10 3.620481e-10 1.423788e-10 ] [ 2.171562e-10 4.236408e-10 3.751897e-10 ] [ 3.719666e-10 3.140383e-10 2.648489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.2135419 -11.4622359 0.3981115 ] [ -8.397106 3.1781409 0.7547524 ] [ -12.0119862 5.9190819 -16.4578794 ] [ -5.4380554 8.6569404 9.210346 ] [ 20.6336057 -6.2919272 6.0946694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.353015012559964e-09 -1.836452653237596e-08 6.37844943026691e-10 ] [ -1.345364702642121e-08 5.09194308953973e-09 1.209246659735421e-09 ] [ -1.924532361757045e-08 9.483414714912324e-09 -2.636842981986994e-08 ] [ -8.712725296277524e-09 1.386994763081061e-08 1.475660115225536e-08 ] [ 3.305868092770921e-08 -1.008077874266904e-08 9.764736904634798e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.2116853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.74786377742128e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3066994 0.9082879 2.9325031 ] [ 0.4006472 2.3648597 2.3825441 ] [ 1.976978 4.0818809 1.6339775 ] [ 1.9385115 4.9514165 3.9687546 ] [ 3.8785157 2.6987569 2.3154878 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3066994e-10 9.082879000000001e-11 2.9325031e-10 ] [ 4.006472e-11 2.3648597e-10 2.3825441e-10 ] [ 1.976978e-10 4.0818809e-10 1.6339775e-10 ] [ 1.9385115e-10 4.9514165e-10 3.9687546e-10 ] [ 3.8785157e-10 2.6987569e-10 2.3154878e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 6.6e-06 -4.5e-06 ] [ -5.4e-06 4.9e-06 1.9e-06 ] [ 9e-07 -8e-06 8.3e-06 ] [ 1.2e-06 -7e-06 -9.2e-06 ] [ 9e-07 3.6e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.845223921599999e-15 1.05743657844e-14 -7.209794853e-15 ] [ -8.6517538236e-15 7.850665506599998e-15 3.0441356046e-15 ] [ 1.4419589706e-15 -1.2817413072e-14 1.32980660622e-14 ] [ 1.9226119608e-15 -1.1215236438e-14 -1.47400250328e-14 ] [ 1.4419589706e-15 5.767835882399999e-15 5.607618218999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92701089696631e-18 } }