{ "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" [ [ 4.0321685 -3.2057038 -0.73128 ] [ -3.4837963 3.9369315 -3.186618 ] [ 0.8538881 -0.0273629 4.9848765 ] [ -0.3906534 0.6529947 0.4142762 ] [ 0.0047341 -1.0271458 -0.4852657 ] [ 0.4125439 0.1733554 0.4447772 ] [ -1.4288849 -0.503069 -1.4407662 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.460246101826205e-09 -5.13610368156972e-09 -1.171639719258624e-09 ] [ -5.581656983489543e-09 6.307659606991075e-09 -5.105524859020454e-09 ] [ 1.368079550599333e-09 -4.384019865728832e-11 7.986652585875333e-09 ] [ -6.258957443160307e-10 1.04621284184631e-09 6.63743642193865e-10 ] [ 7.58486434052928e-12 -1.645668986912913e-09 -7.774813594161466e-10 ] [ 6.609681916336531e-10 2.777459689694324e-10 7.126116313048858e-10 ] [ -2.289325980594146e-09 -8.060053904492352e-10 -2.308361921678857e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.270019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.80565609577718e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0741163 1.1966209 2.2497335 ] [ 1.5042078 3.1032523 1.964382 ] [ 2.0920635 2.1757913 4.1949945 ] [ 2.6519584 5.027343 3.042295 ] [ 4.8220195 2.6505843 2.4560661 ] [ 3.6340059 4.0482195 1.0970216 ] [ 3.8773514 3.5924837 4.327344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0741163e-10 1.1966209e-10 2.2497335e-10 ] [ 1.5042078e-10 3.1032523e-10 1.964382e-10 ] [ 2.0920635e-10 2.1757913e-10 4.1949945e-10 ] [ 2.6519584e-10 5.027343e-10 3.042295e-10 ] [ 4.8220195e-10 2.6505843e-10 2.4560661e-10 ] [ 3.6340059e-10 4.0482195e-10 1.0970216e-10 ] [ 3.8773514e-10 3.5924837e-10 4.327344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.03e-05 2.25e-05 1.1e-06 ] [ 2.42e-05 -2.03e-05 2.41e-05 ] [ 2.59e-05 -2e-07 -2.96e-05 ] [ -2e-05 4.68e-05 1.71e-05 ] [ 1.47e-05 4e-06 -8.6e-06 ] [ 9.3e-06 -3.64e-05 -1.95e-05 ] [ -2.38e-05 -1.64e-05 1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.854595161024e-14 3.604897396800001e-14 1.76239428288e-15 ] [ 3.877267422336e-14 -3.252418540224e-14 3.861245656128e-14 ] [ 4.149637447872e-14 -3.2043532416e-16 -4.742442797568e-14 ] [ -3.2043532416e-14 7.498186585344001e-14 2.739722021568e-14 ] [ 2.355199632576e-14 6.4087064832e-15 -1.377871893888e-14 ] [ 1.490024257344e-14 -5.831922899712e-14 -3.12424441056e-14 ] [ -3.813180357504e-14 -2.627569658112e-14 2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }