{ "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" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.053752 -4.0169634 -0.3352126 ] [ 0.2645392 -0.7254851 0.2711397 ] [ 9.332158 -9.7915485 -8.5253582 ] [ 6.0139763 1.8070568 12.7155662 ] [ -9.5569214 12.7269402 -4.1261351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.699180002430769e-09 -6.435884899113195e-09 -5.370697951423884e-10 ] [ 4.238385250170527e-10 -1.162355275535153e-09 4.344136918897697e-10 ] [ 1.495176549239617e-08 -1.568779021737775e-08 -1.36591297045203e-08 ] [ 9.635452305289774e-09 2.895224181270811e-09 2.037258305372017e-08 ] [ -1.531187616005457e-08 2.039080621075529e-08 -6.610797245947252e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.340040832689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.146982110741297e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3609011 -0.1191462 1.3065102 ] [ 0.5107311 2.1170964 2.1149773 ] [ 2.526068 0.356074 0.4329735 ] [ 2.7375975 1.3990212 2.5647219 ] [ 1.4566911 2.4298822 -0.0493188 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.609011e-11 -1.191462e-11 1.3065102e-10 ] [ 5.107311e-11 2.1170964e-10 2.1149773e-10 ] [ 2.526068e-10 3.56074e-11 4.329735e-11 ] [ 2.7375975e-10 1.3990212e-10 2.5647219e-10 ] [ 1.4566911e-10 2.4298822e-10 -4.931880000000001e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 -2.14e-05 1.99e-05 ] [ -1.69e-05 8.1e-06 -7e-06 ] [ -1.3e-06 -5.1e-06 -2.2e-05 ] [ 9e-06 -2e-06 1.58e-05 ] [ 1.28e-05 2.04e-05 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.767835882399999e-15 -3.42865799676e-14 3.18833150166e-14 ] [ -2.70767851146e-14 1.29776307354e-14 -1.1215236438e-14 ] [ -2.0828296242e-15 -8.1711008334e-15 -3.5247885948e-14 ] [ 1.4419589706e-14 -3.204353268e-15 2.53143908172e-14 ] [ 2.05078609152e-14 3.26844033336e-14 -1.07345834478e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }