{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7406434 1.6108451 -0.6277813 ] [ 0.5806512 -0.829022 0.021296 ] [ 0.0052296 1.0891815 1.1054312 ] [ 0.238078 -1.8338396 -0.8191827 ] [ 0.8705926 -0.2464902 -0.224257 ] [ -0.817957 -0.5406461 0.1541209 ] [ -0.1359511 0.7499713 0.3903729 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.186641539829823e-09 2.580858358950238e-09 -1.005816521835431e-09 ] [ 9.303057774794651e-10 -1.328239666528858e-09 3.41199533165568e-11 ] [ 8.37874285613568e-12 1.745061135107875e-09 1.771096024542889e-09 ] [ 3.814430055268225e-10 -2.938134933417224e-09 -1.31247537010382e-09 ] [ 1.394843109961486e-09 -3.949208356963162e-10 -3.592993224507457e-10 ] [ -1.310511582219706e-09 -8.66210541546699e-10 2.469289027566547e-10 ] [ -2.178176739920429e-10 1.201586483130983e-09 6.254463337738964e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.740962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.002633116770121e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4283976 3.5611288 3.0870591 ] [ 5.4945462 2.3994202 0.361806 ] [ 3.6159521 1.1626644 1.124224 ] [ 3.4000302 1.4032624 3.4438711 ] [ 4.6378785 3.388263 3.9904275 ] [ 5.4879238 4.1644095 1.9507507 ] [ 3.3546766 3.583472 0.9081487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4283976e-10 3.5611288e-10 3.0870591e-10 ] [ 5.4945462e-10 2.3994202e-10 3.61806e-11 ] [ 3.6159521e-10 1.1626644e-10 1.124224e-10 ] [ 3.4000302e-10 1.4032624e-10 3.4438711e-10 ] [ 4.6378785e-10 3.388263e-10 3.9904275e-10 ] [ 5.4879238e-10 4.1644095e-10 1.9507507e-10 ] [ 3.3546766e-10 3.583472e-10 9.081487e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.53e-05 9e-06 1.41e-05 ] [ 0.0 5.4e-06 2.45e-05 ] [ -4.3e-06 -3.78e-05 -1.39e-05 ] [ -1.02e-05 3.51e-05 -1.15e-05 ] [ -3.9e-06 -4.53e-05 2.47e-05 ] [ 2.21e-05 5.11e-05 -2.31e-05 ] [ -1.91e-05 -1.75e-05 -1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.451330229824e-14 1.44195895872e-14 2.259069035328e-14 ] [ 0.0 8.65175375232e-15 3.92533272096e-14 ] [ -6.889359469440001e-15 -6.056227626623999e-14 -2.227025502912e-14 ] [ -1.634220153216e-14 5.623639939008e-14 -1.84250311392e-14 ] [ -6.24848882112e-15 -7.257860092224001e-14 3.957376253376001e-14 ] [ 3.540810331968e-14 8.187122532288001e-14 -3.701027994048e-14 ] [ -3.060157345728e-14 -2.8038090864e-14 -2.387243164992e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.244274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.56392557494693e-18 } }