{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.1326717 0.4353595 2.0581379 ] [ -1.4118148 4.8658035 4.5730743 ] [ 2.6039054 4.7292862 -7.3921409 ] [ 6.606826 -6.0561828 -1.0557796 ] [ -6.1074113 -5.9053884 -5.4966156 ] [ -0.3859415 0.6373052 4.2070014 ] [ -6.4382355 1.2938168 3.1063226 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.223446599981792e-09 6.975228125431776e-10 3.297500425762409e-09 ] [ -2.261976665459428e-09 7.795876609106813e-09 7.326872728641326e-09 ] [ 4.171916354654873e-09 7.577151782712072e-09 -1.184351532763947e-08 ] [ 1.058530215489358e-08 -9.703074493451082e-09 -1.691545391837576e-09 ] [ -9.785151598469734e-09 -9.461475231223519e-09 -8.806549007844565e-09 ] [ -6.183464482964832e-10 1.021075491754268e-09 6.74035928675287e-09 ] [ -1.03151903973046e-08 2.07292302855827e-09 4.97687744638267e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.805525 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.896895167126993e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.12218 2.9459492 2.1627509 ] [ 3.0860923 1.962855 2.4093805 ] [ 1.9509584 2.6250961 4.1862228 ] [ 1.83028 4.6636791 3.351997 ] [ 2.9676172 4.0001518 1.571705 ] [ 3.6800281 5.7219823 2.7621802 ] [ 3.7980049 3.6786764 3.5991057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.12218e-10 2.9459492e-10 2.1627509e-10 ] [ 3.0860923e-10 1.962855e-10 2.4093805e-10 ] [ 1.9509584e-10 2.6250961e-10 4.186222800000001e-10 ] [ 1.83028e-10 4.6636791e-10 3.351997e-10 ] [ 2.9676172e-10 4.0001518e-10 1.571705e-10 ] [ 3.6800281e-10 5.7219823e-10 2.7621802e-10 ] [ 3.7980049e-10 3.6786764e-10 3.5991057e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-06 -9.7e-06 -6.6e-06 ] [ -1.73e-05 -1.94e-05 2.24e-05 ] [ 6.6e-05 5.1e-05 -0.0001142 ] [ -2.24e-05 1.48e-05 6.9e-06 ] [ -3.09e-05 -3.5e-06 9.09e-05 ] [ -3e-07 -5.42e-05 -3.5e-06 ] [ 2.2e-06 2.09e-05 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.32587687616e-15 -1.554111322176e-14 -1.057436569728e-14 ] [ -2.771765553984e-14 -3.108222644352e-14 3.588875630592e-14 ] [ 1.057436569728e-13 8.17110076608e-14 -1.8296857009536e-13 ] [ -3.588875630592e-14 2.371221398784e-14 1.105501868352e-14 ] [ -4.950725758272e-14 -5.6076181728e-15 1.4563785483072e-13 ] [ -4.8065298624e-16 -8.683797284736e-14 -5.6076181728e-15 ] [ 3.52478856576e-15 3.348549137472e-14 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }