{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5077819 -2.9959864 -1.8182785 ] [ -1.3981314 2.0068219 -0.6215879 ] [ 2.1484117 -0.6084159 2.7005143 ] [ -1.0052658 -0.8478041 2.2619833 ] [ 2.6371982 2.3037912 -1.7072555 ] [ 0.6325899 2.9885241 0.6336406 ] [ -1.5070208 -2.8469309 -1.4490164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.415732909445403e-09 -4.800099366314757e-09 -2.913203302803293e-09 ] [ -2.240053441886373e-09 3.215283130289435e-09 -9.958936011521682e-10 ] [ 3.442134997593183e-09 -9.747897307029908e-10 4.326700875596078e-09 ] [ -1.610613362449809e-09 -1.358331908038385e-09 3.624096759900033e-09 ] [ 4.225257300455843e-09 3.691080399844777e-09 -2.735324847832214e-09 ] [ 1.01352074833421e-09 4.788143443717361e-09 1.015204155309684e-09 ] [ -2.414513492819313e-09 -4.561286129013103e-09 -2.321580199235781e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.996055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.165027155403094e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5187222 2.3285562 1.6170236 ] [ 1.2631418 2.1525219 3.6705817 ] [ 2.1296692 4.2954147 2.9603491 ] [ 4.7451485 1.4207344 1.5941895 ] [ 3.4788492 1.1969736 3.6259607 ] [ 4.3738663 3.4103293 2.8923809 ] [ 3.0592278 3.1998599 4.9053374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5187222e-10 2.3285562e-10 1.6170236e-10 ] [ 1.2631418e-10 2.1525219e-10 3.6705817e-10 ] [ 2.1296692e-10 4.2954147e-10 2.9603491e-10 ] [ 4.7451485e-10 1.4207344e-10 1.5941895e-10 ] [ 3.4788492e-10 1.1969736e-10 3.6259607e-10 ] [ 4.373866300000001e-10 3.4103293e-10 2.8923809e-10 ] [ 3.0592278e-10 3.1998599e-10 4.9053374e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.84e-05 1.07e-05 6.2e-06 ] [ 1.25e-05 2e-06 -1.26e-05 ] [ 3.2e-06 1.59e-05 -2.9e-06 ] [ 8.6e-06 -1.36e-05 1.8e-06 ] [ 6.1e-06 -2.23e-05 2.27e-05 ] [ -1.48e-05 2.45e-05 -1.7e-06 ] [ 2.8e-06 -1.73e-05 -1.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.948004982272e-14 1.714328984256e-14 9.93349504896e-15 ] [ 2.002720776e-14 3.2043532416e-15 -2.018742542208e-14 ] [ 5.126965186560001e-15 2.547460827072e-14 -4.646312200320001e-15 ] [ 1.377871893888e-14 -2.178960204288e-14 2.88391791744e-15 ] [ 9.77327738688e-15 -3.572853864384e-14 3.636940929216e-14 ] [ -2.371221398784e-14 3.92533272096e-14 -2.72370025536e-15 ] [ 4.48609453824e-15 -2.771765553984e-14 -2.16293843808e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973336424062e-18 } }