{ "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" [ [ 2.6676482 -1.7679127 -0.0567364 ] [ -2.7264722 3.3682915 -2.6612526 ] [ 1.7379306 0.0544146 2.9471993 ] [ -0.1979883 -0.296164 0.3761318 ] [ 0.3829253 -0.5834353 -0.0219872 ] [ -0.1156258 -0.4114029 1.5667146 ] [ -1.7484178 -0.3637912 -2.1500695 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.274043578559202e-09 -2.832508395555404e-09 -9.090173362835712e-11 ] [ -4.368290016101141e-09 5.396597893339364e-09 -4.263796697763214e-09 ] [ 2.784471775892917e-09 8.718179995018369e-11 4.721933815298125e-09 ] [ -3.172122254519367e-10 -4.745070367226113e-10 6.026295762994215e-10 ] [ 6.135139631728263e-10 -9.347663974094343e-10 -3.522737779685376e-11 ] [ -1.852529535212966e-10 -6.591401081093203e-10 2.510153503586024e-09 ] [ -2.80127412255057e-09 -5.828577554927768e-10 -3.444791085995146e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.274819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.248384099275164e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3857562 1.2950029 2.0768737 ] [ 1.227036 3.5124827 2.2952242 ] [ 2.0646717 2.0044824 3.8509505 ] [ 2.8800344 5.0620789 2.895719 ] [ 5.0382957 2.8450592 2.6774295 ] [ 3.3318245 3.5108961 1.080009 ] [ 3.7281046 3.5642927 4.4556307 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3857562e-10 1.2950029e-10 2.0768737e-10 ] [ 1.227036e-10 3.5124827e-10 2.2952242e-10 ] [ 2.0646717e-10 2.0044824e-10 3.8509505e-10 ] [ 2.8800344e-10 5.062078900000001e-10 2.895719000000001e-10 ] [ 5.038295700000001e-10 2.8450592e-10 2.6774295e-10 ] [ 3.3318245e-10 3.5108961e-10 1.080009e-10 ] [ 3.7281046e-10 3.5642927e-10 4.4556307e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.23e-05 -2.12e-05 -1.58e-05 ] [ 3.14e-05 -1.75e-05 -4.8e-06 ] [ 1.28e-05 3.49e-05 -6e-06 ] [ -2.6e-05 5.5e-06 1.74e-05 ] [ 2.23e-05 -1.06e-05 -7.8e-06 ] [ -8.3e-06 -0.0 -9.9e-06 ] [ -1e-05 9e-06 2.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.572853864384e-14 -3.396614436096001e-14 -2.531439060864e-14 ] [ 5.030834589312e-14 -2.8038090864e-14 -7.69044777984e-15 ] [ 2.050786074624e-14 5.591596406592e-14 -9.6130597248e-15 ] [ -4.16565921408e-14 8.8119714144e-15 2.787787320192e-14 ] [ 3.572853864384e-14 -1.698307218048e-14 -1.249697764224e-14 ] [ -1.329806595264e-14 0.0 -1.586154854592e-14 ] [ -1.6021766208e-14 1.44195895872e-14 4.293833343744e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }