{ "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" [ [ 0.6678483 0.3705928 0.1642866 ] [ 0.4651457 2.25942 0.9775642 ] [ 2.325854 0.8972553 0.6909246 ] [ 2.51877 2.867173 0.7641457 ] [ 2.596702 2.283556 2.674442 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.678483e-11 3.705928e-11 1.642866e-11 ] [ 4.651457e-11 2.25942e-10 9.775642000000001e-11 ] [ 2.325854e-10 8.972553e-11 6.909246e-11 ] [ 2.51877e-10 2.867173e-10 7.641457000000001e-11 ] [ 2.596702e-10 2.283556e-10 2.674442e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.9616327 -9.8851435 -7.0723893 ] [ -5.9371513 5.2731821 3.1465637 ] [ 17.7059402 -7.1706642 3.5062922 ] [ 4.3998666 13.7257671 -8.0949391 ] [ -0.2070229 -1.9431416 8.5144726 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.557335495243033e-08 -1.583774593943698e-08 -1.133121688301161e-08 ] [ -9.512365085382723e-09 8.44856914744705e-09 5.041350837532585e-09 ] [ 2.836804367144128e-08 -1.14886706315003e-08 5.617699434816453e-09 ] [ 7.049363459237023e-09 2.199110333134594e-08 -1.296952227967299e-08 ] [ -3.316872530829186e-10 -3.113256068073374e-09 1.364168905055322e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7154899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.157224369642995e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.364307 0.1470277 0.0899993 ] [ 0.5232344 2.2784226 1.141632 ] [ 2.5672468 0.7937419 0.7246991 ] [ 2.7199134 3.2569188 0.5641706 ] [ 2.3996184 2.2018861 2.7508622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.64307e-11 1.470277e-11 8.999930000000001e-12 ] [ 5.232344e-11 2.2784226e-10 1.141632e-10 ] [ 2.5672468e-10 7.937419000000001e-11 7.246991000000001e-11 ] [ 2.7199134e-10 3.2569188e-10 5.641706e-11 ] [ 2.3996184e-10 2.2018861e-10 2.7508622e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 1.75e-05 9.6e-06 ] [ -1.23e-05 5.2e-06 -1.35e-05 ] [ 1.61e-05 6.4e-06 -2.2e-06 ] [ -1.5e-05 -2.18e-05 -2.3e-06 ] [ 5.4e-06 -7.3e-06 8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.2926244772e-15 2.8038091095e-14 1.53808956864e-14 ] [ -1.97067725982e-14 8.331318496799998e-15 -2.162938455899999e-14 ] [ 2.579504380739999e-14 1.02539304576e-14 -3.5247885948e-15 ] [ -2.403264951e-14 -3.492745062119999e-14 -3.685006258199999e-15 ] [ 8.6517538236e-15 -1.16958894282e-14 1.3618501389e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.106817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260161257751397e-18 } }