{ "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" [ [ 3.046952 0.8888341 2.154791 ] [ 1.482397 2.148474 3.156267 ] [ 1.59563 3.780951 1.691413 ] [ 3.247494 1.676883 4.588179 ] [ 3.703607 3.217806 2.519536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.046952e-10 8.888341e-11 2.154791e-10 ] [ 1.482397e-10 2.148474e-10 3.156267e-10 ] [ 1.59563e-10 3.780951e-10 1.691413e-10 ] [ 3.247494e-10 1.676883e-10 4.588179e-10 ] [ 3.703607e-10 3.217806e-10 2.519536e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6284207 -0.733238 -0.8903003 ] [ -2.4590866 -0.8023495 1.1555748 ] [ 0.2391297 0.7724071 -0.6117583 ] [ 0.5180874 0.2918505 0.5014087 ] [ 1.0734488 0.4713298 -0.1549249 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.006840961861924e-09 -1.174776790760892e-09 -1.42641833790319e-09 ] [ -3.939891091502504e-09 -1.285505621201583e-09 1.851434943399223e-09 ] [ 3.831280178354298e-10 1.237532607555701e-09 -9.80144853915562e-10 ] [ 8.300675266498115e-10 4.67596051721217e-10 8.033453032243158e-10 ] [ 1.719854585155339e-09 7.551535924678931e-10 -2.482170548047866e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.432759432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.671512339119849e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9906051 0.9162749 1.8202501 ] [ 1.2151518 1.7116155 3.1957652 ] [ 1.7890824 3.747402 2.0989379 ] [ 3.0659598 2.364094 4.5469242 ] [ 4.015281 2.9735617 2.4483086 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9906051e-10 9.162749000000001e-11 1.8202501e-10 ] [ 1.2151518e-10 1.7116155e-10 3.1957652e-10 ] [ 1.7890824e-10 3.747402e-10 2.0989379e-10 ] [ 3.0659598e-10 2.364094e-10 4.5469242e-10 ] [ 4.015281e-10 2.9735617e-10 2.4483086e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.9e-06 2.1e-06 2.8e-06 ] [ -3e-07 1.05e-05 9e-07 ] [ -3.4e-06 -5.3e-06 -3.6e-06 ] [ 2.9e-06 -8.1e-06 -1.9e-06 ] [ -3.2e-06 7e-07 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.248488872599999e-15 3.364570931399999e-15 4.486094575199999e-15 ] [ -4.806529901999999e-16 1.6822854657e-14 1.4419589706e-15 ] [ -5.4474005556e-15 -8.4915361602e-15 -5.767835882399999e-15 ] [ 4.6463122386e-15 -1.29776307354e-14 -3.0441356046e-15 ] [ -5.1269652288e-15 1.1215236438e-15 3.0441356046e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }