{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.9927277 -63.4189169 -0.5764209 ] [ -3.1586931 60.9661348 -8.9798273 ] [ 35.4409589 -18.2745671 -3.5501378 ] [ -37.1201844 -34.6033238 -11.2879376 ] [ 1.7518251 -15.8548744 -6.4559816 ] [ 0.4804473 52.2791234 17.6646275 ] [ 16.5983738 18.9064239 13.1856776 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.241882136686456e-08 -1.016083068107677e-07 -9.235280973292506e-10 ] [ -5.060784278797025e-09 9.767851664185425e-08 -1.438726947741531e-08 ] [ 5.678267623613433e-08 -2.927908440408513e-08 -5.687947830640165e-09 ] [ -5.94730920954513e-08 -5.544063685109608e-08 -1.808526986877004e-08 ] [ 2.806733242074713e-09 -2.540230929868477e-08 -1.034362286905393e-08 ] [ 7.697614379283882e-10 8.376038995748263e-08 2.830185342881383e-08 ] [ 2.659352666475779e-08 3.029143060507915e-08 2.11257845541772e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.51723565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.287028727018021e-20 } "relaxed-configuration-positions" { "source-value" [ [ 2.4563733 2.5199986 3.2917777 ] [ 2.5250687 5.1411587 3.1837753 ] [ 6.290074 2.6840136 1.2252825 ] [ 3.6140422 2.4470463 0.9251506 ] [ 4.9809748 1.5407523 3.1915158 ] [ 4.7179374 4.7605491 1.7373227 ] [ 4.6659026 3.9158914 4.2896474 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4563733e-10 2.5199986e-10 3.2917777e-10 ] [ 2.5250687e-10 5.1411587e-10 3.183775300000001e-10 ] [ 6.290074e-10 2.6840136e-10 1.2252825e-10 ] [ 3.6140422e-10 2.4470463e-10 9.251506000000001e-11 ] [ 4.9809748e-10 1.5407523e-10 3.1915158e-10 ] [ 4.7179374e-10 4.760549100000001e-10 1.7373227e-10 ] [ 4.6659026e-10 3.9158914e-10 4.2896474e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.07e-05 2.56e-05 3.03e-05 ] [ -2.97e-05 -1.48e-05 1.43e-05 ] [ 9.9e-06 7.9e-06 2.38e-05 ] [ -4.9e-06 1.79e-05 -2.47e-05 ] [ 3.92e-05 -3.5e-05 -1.06e-05 ] [ 2.46e-05 -2.36e-05 -2.4e-06 ] [ 1.16e-05 2.22e-05 -3.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.123035534379999e-14 4.10157218304e-14 4.854595201019999e-14 ] [ -4.75846460298e-14 -2.37122141832e-14 2.29111258662e-14 ] [ 1.58615486766e-14 1.26571954086e-14 3.81318038892e-14 ] [ -7.850665506599998e-15 2.86789617486e-14 -3.95737628598e-14 ] [ 6.280532405279998e-14 -5.607618218999999e-14 -1.69830723204e-14 ] [ 3.94135451964e-14 -3.78113685624e-14 -3.845223921599999e-15 ] [ 1.85852489544e-14 3.55683212748e-14 -4.886638733699999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.718424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.960328136210481e-18 } }