{ "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" [ [ 2.9629275 -1.2226898 0.6337181 ] [ -1.6053282 3.5734883 -2.3922926 ] [ 1.8326788 -0.1828487 2.7700818 ] [ -0.613813 -0.1349291 0.8019 ] [ -1.0089386 -1.3948983 -0.4580131 ] [ 0.0460592 -0.2983867 0.5170112 ] [ -1.6135857 -0.3397358 -1.8724053 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.747133208736034e-09 -1.958965028190133e-09 1.015328332362875e-09 ] [ -2.572019331941278e-09 5.725359456132382e-09 -3.832875305411108e-09 ] [ 2.936275150987159e-09 -2.929559146972758e-10 4.438160334228661e-09 ] [ -9.83436846245442e-10 -2.161802512666494e-10 1.2847854428046e-09 ] [ -1.616497850060672e-09 -2.234873463066322e-09 -7.338178868859054e-10 ] [ 7.37949740207328e-11 -4.780681986363678e-10 8.283432641563007e-10 ] [ -2.585249305496534e-09 -5.443167604932971e-10 -2.99992402103776e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.368931005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.782809541499567e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.040394 1.1782344 2.2522502 ] [ 1.6203899 3.1062601 2.040237 ] [ 2.0808876 2.16079 4.2018769 ] [ 2.6433168 5.046235 3.0244854 ] [ 4.7942762 2.6481585 2.4337213 ] [ 3.6028365 4.0636835 1.0748722 ] [ 3.8736218 3.5909335 4.3043937 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.040394e-10 1.1782344e-10 2.2522502e-10 ] [ 1.6203899e-10 3.1062601e-10 2.040237e-10 ] [ 2.0808876e-10 2.16079e-10 4.2018769e-10 ] [ 2.6433168e-10 5.046235e-10 3.0244854e-10 ] [ 4.7942762e-10 2.6481585e-10 2.4337213e-10 ] [ 3.6028365e-10 4.0636835e-10 1.0748722e-10 ] [ 3.8736218e-10 3.5909335e-10 4.304393700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.57e-05 3.9e-06 1.04e-05 ] [ 1.17e-05 3.9e-06 8.6e-06 ] [ -5.9e-06 1.73e-05 -2.55e-05 ] [ -8.7e-06 1.65e-05 4.77e-05 ] [ -4.5e-06 8.9e-06 1.59e-05 ] [ -5.1e-06 -3.43e-05 -1.6e-05 ] [ -3.2e-06 -1.63e-05 -4.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.515417315379999e-14 6.248488872599999e-15 1.66626369936e-14 ] [ 1.87454666178e-14 6.248488872599999e-15 1.37787190524e-14 ] [ -9.452842140600001e-15 2.77176557682e-14 -4.0855504167e-14 ] [ -1.39389367158e-14 2.6435914461e-14 7.64238254418e-14 ] [ -7.209794853e-15 1.42593720426e-14 2.54746084806e-14 ] [ -8.1711008334e-15 -5.49546585462e-14 -2.5634826144e-14 ] [ -5.1269652288e-15 -2.61154791342e-14 -6.58494596574e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }