{ "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" [ [ -0.4169609 -1.7066266 -0.0031624 ] [ 0.2917295 -3.2449659 1.0975655 ] [ -1.3340081 -0.3027267 -0.513698 ] [ 0.6638252 1.5606717 -1.2665279 ] [ 1.1099994 0.9154265 0.5791517 ] [ -1.454081 1.2240116 -2.7572793 ] [ 1.1394958 1.5542094 2.8639503 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.680450112716107e-10 -2.734317261482864e-09 -5.066723387361599e-12 ] [ 4.674021883485029e-10 -5.19900854310678e-09 1.758493798384527e-09 ] [ -2.137316607386735e-09 -4.850216452279278e-10 -8.230349325325319e-10 ] [ 1.063565224500377e-09 2.500471731085058e-09 -2.029201407689088e-09 ] [ 1.778415102434019e-09 1.466674948444401e-09 9.279033212813777e-10 ] [ -2.329694602143353e-09 1.961082785264954e-09 -4.417648467871876e-09 ] [ 1.825673545301137e-09 2.490117985023159e-09 4.58855425159729e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.267743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.087032762451706e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9883272 2.7642193 2.7955386 ] [ 4.8987078 1.3776062 1.7894816 ] [ 5.087317 2.3523114 4.0729162 ] [ 3.2831229 0.9118242 3.4792882 ] [ 5.686417 3.5998039 2.1333858 ] [ 3.5697125 3.2789138 1.0876649 ] [ 3.7583315 4.2536237 3.3710927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9883272e-10 2.7642193e-10 2.7955386e-10 ] [ 4.8987078e-10 1.3776062e-10 1.7894816e-10 ] [ 5.087317e-10 2.3523114e-10 4.0729162e-10 ] [ 3.2831229e-10 9.118242e-11 3.4792882e-10 ] [ 5.686416999999999e-10 3.5998039e-10 2.1333858e-10 ] [ 3.5697125e-10 3.2789138e-10 1.0876649e-10 ] [ 3.7583315e-10 4.2536237e-10 3.3710927e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.19e-05 -9.3e-06 -2.06e-05 ] [ -1.87e-05 4.4e-06 1.16e-05 ] [ -2.9e-06 2.3e-06 -2.5e-05 ] [ 8.5e-06 1.65e-05 2.5e-06 ] [ -2.7e-06 -5.4e-06 -2.5e-06 ] [ 8.4e-06 -2.5e-06 2.44e-05 ] [ -4.5e-06 -6e-06 9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.90659019446e-14 -1.49002426962e-14 -3.300483866039999e-14 ] [ -2.99607030558e-14 7.0495771896e-15 1.85852489544e-14 ] [ -4.6463122386e-15 3.685006258199999e-15 -4.005441585e-14 ] [ 1.3618501389e-14 2.6435914461e-14 4.005441585e-15 ] [ -4.3258769118e-15 -8.6517538236e-15 -4.005441585e-15 ] [ 1.34582837256e-14 -4.005441585e-15 3.909310986959999e-14 ] [ -7.209794853e-15 -9.613059803999999e-15 1.5220678023e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }