{ "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" [ [ -1.2484554 1.1363529 -4.5724608 ] [ -3.2177423 -1.4747774 0.0337627 ] [ -3.8349598 4.9329222 0.4220188 ] [ 1.789665 -1.6125921 -1.8194551 ] [ 1.9277875 -5.6220037 4.3121577 ] [ 3.761598 1.4176122 0.2769718 ] [ 0.822107 1.2224859 1.3470049 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.000246053991512e-09 1.82063804935828e-09 -7.325889793284465e-09 ] [ -5.155391484819219e-09 -2.36285387116421e-09 5.409380859508416e-11 ] [ -6.144282933267845e-09 7.903412621065303e-09 6.761486548980711e-10 ] [ 2.867359422064032e-09 -2.583657361506776e-09 -2.915088423815326e-09 ] [ 3.08865606237048e-09 -9.007442890191097e-09 6.9088382521427e-09 ] [ 6.026744372448039e-09 2.271265124200854e-09 4.437577425808934e-10 ] [ 1.317160615196026e-09 1.958638328237647e-09 2.158139758883042e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.008688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.404656902248151e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6639014 3.0941829 1.0184458 ] [ 1.1551043 1.5790796 4.0160269 ] [ 1.6492693 3.6901979 3.0698493 ] [ 4.3071629 1.711687 2.0090751 ] [ 2.9962521 0.2085534 3.2812307 ] [ 5.3190398 3.175085 3.5681878 ] [ 3.4778951 4.5456042 4.3030074 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6639014e-10 3.0941829e-10 1.0184458e-10 ] [ 1.1551043e-10 1.5790796e-10 4.0160269e-10 ] [ 1.6492693e-10 3.6901979e-10 3.0698493e-10 ] [ 4.3071629e-10 1.711687e-10 2.0090751e-10 ] [ 2.9962521e-10 2.085534e-11 3.2812307e-10 ] [ 5.319039799999999e-10 3.175085e-10 3.5681878e-10 ] [ 3.4778951e-10 4.5456042e-10 4.3030074e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.05e-05 2.56e-05 -1.44e-05 ] [ 2.02e-05 1.82e-05 1.35e-05 ] [ 1.4e-06 -5.3e-06 -2.08e-05 ] [ -8.5e-06 -2.27e-05 -5.5e-06 ] [ 2.28e-05 -2.6e-06 -7e-07 ] [ -5.8e-06 -1.47e-05 2.51e-05 ] [ -9.6e-06 1.4e-06 2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.28446207264e-14 4.101572149248001e-14 -2.307134333952e-14 ] [ 3.236396774016e-14 2.915961449856e-14 2.16293843808e-14 ] [ 2.24304726912e-15 -8.491536090240001e-15 -3.332527371264e-14 ] [ -1.36185012768e-14 -3.636940929216e-14 -8.8119714144e-15 ] [ 3.652962695424e-14 -4.16565921408e-15 -1.12152363456e-15 ] [ -9.292624400640001e-15 -2.355199632576e-14 4.021463318208e-14 ] [ -1.538089555968e-14 2.24304726912e-15 4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }