{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0746271 -7.9885147 -4.5281756 ] [ -14.8940052 -13.1901601 16.9452428 ] [ 3.1676864 22.520397 -10.8726037 ] [ 8.5461629 -1.2745979 -0.0789105 ] [ 2.6593982 5.9280157 1.4152117 ] [ -8.6941303 -4.5530357 10.3398721 ] [ 10.289515 -1.4421043 -13.2206368 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.721742429883181e-09 -1.279901159270552e-08 -7.25493714096893e-09 ] [ -2.38628271181145e-08 -2.11329663109391e-08 2.714927207161673e-08 ] [ 5.075193133919578e-09 3.60816538618037e-08 -1.741983159888195e-08 ] [ 1.369246250873768e-08 -2.042130973125469e-09 -1.26428559277257e-10 ] [ 4.260825656541659e-09 9.497728240525153e-09 2.267419117903417e-09 ] [ -1.392953241961141e-08 -7.294767412307833e-09 1.656630147716851e-08 ] [ 1.648562050819251e-08 -2.310505813250926e-09 -2.118179536756053e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.836103 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.73613510302173e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9416084 1.2599679 1.3941493 ] [ 1.6267063 1.5545283 3.5407015 ] [ 2.8350085 3.5931114 2.6420298 ] [ 5.1786967 2.475505 2.122171 ] [ 4.5151042 3.1239855 4.4806737 ] [ 3.5538434 0.8967136 4.9352803 ] [ 4.6527166 0.1115529 2.8695044 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9416084e-10 1.2599679e-10 1.3941493e-10 ] [ 1.6267063e-10 1.5545283e-10 3.5407015e-10 ] [ 2.8350085e-10 3.5931114e-10 2.6420298e-10 ] [ 5.1786967e-10 2.475505e-10 2.122171e-10 ] [ 4.5151042e-10 3.1239855e-10 4.4806737e-10 ] [ 3.5538434e-10 8.967136000000001e-11 4.9352803e-10 ] [ 4.6527166e-10 1.115529e-11 2.8695044e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.13e-05 -1.89e-05 -2.05e-05 ] [ -1.34e-05 7.7e-06 1.83e-05 ] [ 5.3e-06 1.83e-05 -2.01e-05 ] [ 7.4e-06 1.69e-05 -1e-06 ] [ -7e-07 -1.52e-05 1.88e-05 ] [ 2.6e-06 -4.6e-06 -6.2e-06 ] [ 2.02e-05 -4.2e-06 1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.41263623042e-14 -3.02811383826e-14 -3.2844620997e-14 ] [ -2.14691668956e-14 1.23367600818e-14 2.93198324022e-14 ] [ 8.4915361602e-15 2.93198324022e-14 -3.22037503434e-14 ] [ 1.18561070916e-14 2.70767851146e-14 -1.602176634e-15 ] [ -1.1215236438e-15 -2.43530848368e-14 3.012092071919999e-14 ] [ 4.165659248399999e-15 -7.370012516399999e-15 -9.9334951308e-15 ] [ 3.236396800679999e-14 -6.729141862799999e-15 1.73035076472e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }