{ "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" [ [ 10.9953529 -13.7926621 -3.8202139 ] [ -7.1691127 12.4566692 -6.9917539 ] [ -4.473215 -2.5266917 14.8566442 ] [ -4.0914445 5.098615 -0.3825468 ] [ 3.449736 -2.9359229 -2.2271028 ] [ 0.496117 2.1907567 -4.6708632 ] [ 0.7925664 -0.4907642 3.2358364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.761649749896414e-08 -2.209828093727737e-08 -6.120657447462012e-09 ] [ -1.148618485445265e-08 1.995778432970747e-08 -1.120202472925837e-08 ] [ -7.166880551858309e-09 -4.048206403061738e-09 2.380296819689162e-08 ] [ -6.555216777207812e-09 8.16888181876191e-09 -6.129075443714712e-10 ] [ 5.527086412668623e-09 -4.703867069605518e-09 -3.568212067675974e-09 ] [ 7.948670651301779e-10 3.509979195518948e-09 -7.48354787965047e-09 ] [ 1.269831366973498e-09 -7.862909340437027e-10 5.184381471526678e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.835966 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736113153201844e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1728273 0.8980792 1.8685126 ] [ 1.6575146 3.0948808 2.0649273 ] [ 1.8282539 2.2658623 4.6034825 ] [ 2.3947858 5.3208451 3.3542085 ] [ 4.9269741 2.6267168 2.4028483 ] [ 3.7394072 3.9530599 0.6192481 ] [ 3.9359602 3.6348509 4.4186095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1728273e-10 8.980792e-11 1.8685126e-10 ] [ 1.6575146e-10 3.0948808e-10 2.0649273e-10 ] [ 1.8282539e-10 2.2658623e-10 4.6034825e-10 ] [ 2.3947858e-10 5.3208451e-10 3.3542085e-10 ] [ 4.9269741e-10 2.6267168e-10 2.4028483e-10 ] [ 3.7394072e-10 3.9530599e-10 6.192481e-11 ] [ 3.9359602e-10 3.6348509e-10 4.4186095e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.93e-05 -1.39e-05 -6.2e-06 ] [ -6e-07 1.13e-05 -9.1e-06 ] [ 9e-07 1.81e-05 1.71e-05 ] [ 2.51e-05 -1.45e-05 -5.1e-06 ] [ -2.51e-05 4.16e-05 -2.53e-05 ] [ 1.1e-06 -1.87e-05 -8e-07 ] [ -2.07e-05 -2.38e-05 2.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.09220090362e-14 -2.22702552126e-14 -9.9334951308e-15 ] [ -9.613059803999998e-16 1.81045959642e-14 -1.45798073694e-14 ] [ 1.4419589706e-15 2.899939707539999e-14 2.73972204414e-14 ] [ 4.02146335134e-14 -2.3231561193e-14 -8.1711008334e-15 ] [ -4.02146335134e-14 6.665054797439999e-14 -4.053506884019999e-14 ] [ 1.7623942974e-15 -2.99607030558e-14 -1.2817413072e-15 ] [ -3.316505632379999e-14 -3.81318038892e-14 4.69437753762e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.834016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.177759699358214e-18 } }