{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1462426 -1.3854981 -1.8673244 ] [ 0.7530724 -2.751752 -1.0048171 ] [ -6.4372506 3.7146434 3.1734443 ] [ 9.5296305 -16.536112 -7.8199856 ] [ 0.3337872 -4.187463 10.077972 ] [ -1.6482493 21.5387774 2.2380341 ] [ -2.3847476 -0.3925956 -4.7973233 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.343064746850061e-10 -2.21981266398282e-09 -2.991783497129388e-09 ] [ 1.206554993049746e-09 -4.408792720639642e-09 -1.609894465800056e-09 ] [ -1.031361241355077e-08 5.951514810089023e-09 5.084418264871021e-09 ] [ 1.526815119196261e-08 -2.649377204533033e-08 -1.252899810331266e-08 ] [ 5.347860481622937e-10 -6.70905531906503e-09 1.614669112347702e-08 ] [ -2.640786493709966e-09 3.450892559089541e-08 3.58572591157317e-09 ] [ -3.82078685122891e-09 -6.290074917489485e-10 -7.686159233679105e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7716849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.405378847180439e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9706613 1.3969278 0.1715026 ] [ 2.700357 0.8418716 2.3819713 ] [ 2.3214614 3.0764698 3.4442274 ] [ 4.9002323 2.0349198 2.331349 ] [ 4.5537823 2.926977 4.7252634 ] [ 4.4084564 4.6371794 2.7879506 ] [ 3.1026792 3.4185615 0.9026955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9706613e-10 1.3969278e-10 1.715026e-11 ] [ 2.700357e-10 8.418716000000001e-11 2.3819713e-10 ] [ 2.3214614e-10 3.0764698e-10 3.4442274e-10 ] [ 4.9002323e-10 2.0349198e-10 2.331349e-10 ] [ 4.5537823e-10 2.926977e-10 4.725263400000001e-10 ] [ 4.408456400000001e-10 4.6371794e-10 2.7879506e-10 ] [ 3.1026792e-10 3.4185615e-10 9.026955e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.13e-05 1.03e-05 6.6e-06 ] [ 1.97e-05 -1.7e-05 1.97e-05 ] [ 0.0001351 -6.38e-05 -5.78e-05 ] [ -0.0001285 6.11e-05 5.59e-05 ] [ -2.45e-05 4.9e-06 -7.3e-06 ] [ -5.8e-06 -2.53e-05 -1.49e-05 ] [ 2.53e-05 2.98e-05 -2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.412636202304e-14 1.650241919424e-14 1.057436569728e-14 ] [ 3.156287942976e-14 -2.72370025536e-14 3.156287942976e-14 ] [ 2.1645406147008e-13 -1.0221886840704e-13 -9.260580868224001e-14 ] [ -2.058796957728e-13 9.789299153088e-14 8.956167310272e-14 ] [ -3.92533272096e-14 7.850665441919999e-15 -1.169588933184e-14 ] [ -9.292624400640001e-15 -4.053506850624e-14 -2.387243164992e-14 ] [ 4.053506850624e-14 4.774486329984001e-14 -3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.696818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.675125144135262e-18 } }