{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.4976026 -3.0289708 0.2203922 ] [ 4.5750192 -15.9274359 -2.5383044 ] [ 0.2422736 -1.7060249 2.0785947 ] [ 0.0676058 0.6001981 -0.8969238 ] [ 7.4583784 5.2754788 0.6228666 ] [ -4.4977668 4.1782264 -11.2254261 ] [ -1.3479076 10.6085284 11.7388008 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.041030697696929e-08 -4.852946200845873e-09 3.531072302466778e-10 ] [ 7.32998880195112e-09 -2.551856542827061e-08 -4.066811966153772e-09 ] [ 3.881650977570509e-10 -2.733353209282658e-09 3.33027583245879e-09 ] [ 1.083164321904806e-10 9.616233636685805e-10 -1.437030342999095e-09 ] [ 1.194963950155971e-08 8.452248796886039e-09 9.979423043971853e-10 ] [ -7.206216812770429e-09 6.694256654489349e-09 -1.798511525593812e-08 ] [ -2.159586043718638e-09 1.699673618357283e-08 1.880763219798834e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.455605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.675172588731959e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9730738 2.7787374 2.914701 ] [ 4.9309974 1.2837916 1.6433772 ] [ 5.6479895 1.7056982 4.1195463 ] [ 3.3118771 0.9245344 3.5929694 ] [ 5.5490132 3.7038886 2.5804487 ] [ 3.5079073 3.2547662 0.9224177 ] [ 3.3510777 4.8868862 2.9559076 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9730738e-10 2.7787374e-10 2.914701e-10 ] [ 4.9309974e-10 1.2837916e-10 1.6433772e-10 ] [ 5.6479895e-10 1.7056982e-10 4.1195463e-10 ] [ 3.3118771e-10 9.245344e-11 3.5929694e-10 ] [ 5.5490132e-10 3.7038886e-10 2.5804487e-10 ] [ 3.5079073e-10 3.2547662e-10 9.224177000000001e-11 ] [ 3.3510777e-10 4.8868862e-10 2.9559076e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 -1.99e-05 2.27e-05 ] [ 3.5e-06 1.23e-05 1.94e-05 ] [ -2.06e-05 8.5e-06 -2.65e-05 ] [ 6e-07 -2.51e-05 -1e-06 ] [ 3e-06 -1.06e-05 1.56e-05 ] [ -2e-07 6.3e-06 -1.08e-05 ] [ 1.27e-05 2.86e-05 -1.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 -3.188331475392e-14 3.636940929216e-14 ] [ 5.6076181728e-15 1.970677243584e-14 3.108222644352e-14 ] [ -3.300483838848e-14 1.36185012768e-14 -4.24576804512e-14 ] [ 9.6130597248e-16 -4.021463318208e-14 -1.6021766208e-15 ] [ 4.8065298624e-15 -1.698307218048e-14 2.499395528448e-14 ] [ -3.2043532416e-16 1.009371271104e-14 -1.730350750464e-14 ] [ 2.034764308416e-14 4.582225135488e-14 -3.092200878144e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.993828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.722711391949642e-18 } }