{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6527645 -6.2999167 -2.8657886 ] [ 0.4018117 1.6805573 -1.6600026 ] [ -4.104747 -0.3861103 8.1710968 ] [ -2.7041219 5.4752841 1.0118055 ] [ 3.7780454 -1.7521196 -2.472073 ] [ 0.4646069 2.0869057 -3.9022898 ] [ -0.4883595 -0.8046004 1.7172517 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.250197297404693e-09 -1.009357933288639e-08 -4.591499532903572e-09 ] [ 6.437733170078177e-10 2.692549638158128e-09 -2.659617378099248e-09 ] [ -6.576529731881597e-09 -6.186169008067301e-10 1.309154036711217e-08 ] [ -4.332480923667684e-09 8.772372249531718e-09 1.621091130252687e-09 ] [ 6.053096062071183e-09 -2.807205083093426e-09 -3.960697598142282e-09 ] [ 7.443823191751745e-10 3.343591549901413e-09 -6.252157536656533e-09 ] [ -7.82438179891923e-10 -1.289111960587053e-09 2.751340548436777e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.915045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.909000669205853e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5183236 0.5330143 2.4866912 ] [ 1.4742929 3.774892 2.1010898 ] [ 1.9606991 2.0693063 3.7671106 ] [ 2.5963638 5.5731678 3.5473601 ] [ 4.8681615 2.7098397 2.3320953 ] [ 3.3849756 3.5976338 0.7142418 ] [ 3.8529065 3.5364412 4.3832478 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5183236e-10 5.330143e-11 2.4866912e-10 ] [ 1.4742929e-10 3.774892e-10 2.1010898e-10 ] [ 1.9606991e-10 2.0693063e-10 3.7671106e-10 ] [ 2.596363800000001e-10 5.5731678e-10 3.5473601e-10 ] [ 4.8681615e-10 2.7098397e-10 2.3320953e-10 ] [ 3.3849756e-10 3.5976338e-10 7.142418e-11 ] [ 3.8529065e-10 3.5364412e-10 4.3832478e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 -1e-07 4.8e-06 ] [ 1.39e-05 9e-06 -1.4e-06 ] [ -5.3e-06 -1.44e-05 2e-07 ] [ 3.1e-06 3.1e-06 -3e-07 ] [ -4.5e-06 1.21e-05 -4.8e-06 ] [ -7.4e-06 -7.3e-06 -1.33e-05 ] [ -1e-06 -2.6e-06 1.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-15 -1.602176634e-16 7.690447843199998e-15 ] [ 2.22702552126e-14 1.4419589706e-14 -2.2430472876e-15 ] [ -8.4915361602e-15 -2.30713435296e-14 3.204353268e-16 ] [ 4.9667475654e-15 4.9667475654e-15 -4.806529901999999e-16 ] [ -7.209794853e-15 1.93863372714e-14 -7.690447843199998e-15 ] [ -1.18561070916e-14 -1.16958894282e-14 -2.13089492322e-14 ] [ -1.602176634e-15 -4.165659248399999e-15 2.37122141832e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.978138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.040632926042749e-18 } }