{ "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" [ [ 1.9509938 -5.046022 -0.3438323 ] [ -5.1874037 1.7984963 -2.6810973 ] [ -2.3821266 -2.0411072 4.2862113 ] [ -0.5038441 4.7385021 1.2207037 ] [ 5.0276035 -0.1733697 -0.3703257 ] [ 0.7761411 1.1024617 -2.837706 ] [ 0.3186361 -0.3789614 0.7260463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.125836653685751e-09 -8.084618476442457e-09 -5.508800725358918e-10 ] [ -8.311136930791418e-09 2.881508724455303e-09 -4.295591412150003e-09 ] [ -3.816587546305794e-09 -3.270214236386549e-09 6.867267536668775e-09 ] [ -8.072472375480173e-10 7.591917282231703e-09 1.955782929064057e-09 ] [ 8.055108786352253e-09 -2.777688800951097e-10 -5.933271786213945e-10 ] [ 1.243515124861995e-09 1.766338361067424e-09 -4.546506209903885e-09 ] [ 5.105113099628908e-10 -6.071630952656371e-10 1.163254407478343e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.318951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.454366514738078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5182909 0.5822361 2.5544104 ] [ 0.5750937 3.6487011 2.7875533 ] [ 1.9598347 1.9394138 3.8900914 ] [ 2.602549 5.0271647 2.5776177 ] [ 4.9645237 2.5662556 2.3905041 ] [ 4.319246 4.4298873 0.9190021 ] [ 3.7161849 3.6006364 4.2126577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5182909e-10 5.822361000000001e-11 2.5544104e-10 ] [ 5.750937000000001e-11 3.6487011e-10 2.7875533e-10 ] [ 1.9598347e-10 1.9394138e-10 3.8900914e-10 ] [ 2.602549e-10 5.0271647e-10 2.5776177e-10 ] [ 4.9645237e-10 2.5662556e-10 2.3905041e-10 ] [ 4.319246e-10 4.4298873e-10 9.190021e-11 ] [ 3.7161849e-10 3.6006364e-10 4.212657700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.28e-05 -3.9e-06 -1.05e-05 ] [ 3.34e-05 2.93e-05 9.2e-06 ] [ -2.62e-05 7.8e-06 -1.81e-05 ] [ 8.2e-06 -2.8e-05 1.3e-05 ] [ 1.82e-05 6.62e-05 2.5e-06 ] [ -3.15e-05 -5.92e-05 5.1e-06 ] [ -1.5e-05 -1.22e-05 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.050786074624e-14 -6.24848882112e-15 -1.68228545184e-14 ] [ 5.351269913472e-14 4.694377498944e-14 1.474002491136e-14 ] [ -4.197702746496e-14 1.249697764224e-14 -2.899939683648e-14 ] [ 1.313784829056e-14 -4.48609453824e-14 2.08282960704e-14 ] [ 2.915961449856e-14 1.0606409229696e-13 4.005441552e-15 ] [ -5.04685635552e-14 -9.484885595136001e-14 8.17110076608e-15 ] [ -2.4032649312e-14 -1.954655477376e-14 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.155085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.389418259803677e-18 } }