{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -84.5274361 127.563062 -45.2787186 ] [ 11.0528736 -2.7580962 -11.4748815 ] [ 8.4489471 -54.460377 85.6423172 ] [ -2.2657323 -0.6064964 3.5122506 ] [ 14.3450176 13.0668233 -43.1015626 ] [ 72.0509643 12.019196 -0.4646553 ] [ -19.1046343 -94.8241116 11.1652503 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.354278830513481e-07 2.043785572978933e-07 -7.254450495838119e-08 ] [ 1.770865582047546e-08 -4.41895728596419e-09 -1.838478701721887e-08 ] [ 1.353670562552206e-08 -8.7255143508231e-08 1.372141194994563e-07 ] [ -3.630103349959077e-09 -9.717143606851174e-10 5.627245844072479e-09 ] [ 2.298325201303876e-08 2.093535897186677e-08 -6.905631648660828e-08 ] [ 1.154383714586282e-07 1.925687499066626e-08 -7.444598645242602e-10 ] [ -3.060899867657494e-08 -1.519249759453283e-07 1.788870314342149e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 35.513884 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.689951512738645e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4624538 5.6839595 3.043084 ] [ 6.1843464 2.7866406 0.9470555 ] [ 2.9069672 2.6180548 2.3243901 ] [ 5.5306625 2.4679797 3.7041372 ] [ 4.11166 4.7376072 0.7796469 ] [ 5.4945323 5.3306475 3.3382527 ] [ 3.3179177 3.8344208 5.1095886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4624538e-10 5.683959500000001e-10 3.043084e-10 ] [ 6.1843464e-10 2.7866406e-10 9.470555e-11 ] [ 2.9069672e-10 2.6180548e-10 2.3243901e-10 ] [ 5.5306625e-10 2.4679797e-10 3.7041372e-10 ] [ 4.11166e-10 4.7376072e-10 7.796469e-11 ] [ 5.4945323e-10 5.330647500000001e-10 3.3382527e-10 ] [ 3.3179177e-10 3.8344208e-10 5.109588600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.9e-06 3.47e-05 -1.73e-05 ] [ 3e-06 -2.47e-05 1.53e-05 ] [ -2.88e-05 -1.32e-05 -1.14e-05 ] [ 1.87e-05 1e-06 -1.6e-06 ] [ -4.9e-06 4.7e-06 7.6e-06 ] [ -4e-07 3.65e-05 4.5e-06 ] [ 1.83e-05 -3.9e-05 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.452842140600001e-15 5.55955291998e-14 -2.77176557682e-14 ] [ 4.806529901999999e-15 -3.95737628598e-14 2.45133025002e-14 ] [ -4.614268705919999e-14 -2.11487315688e-14 -1.82648136276e-14 ] [ 2.99607030558e-14 1.602176634e-15 -2.5634826144e-15 ] [ -7.850665506599998e-15 7.530230179799999e-15 1.21765424184e-14 ] [ -6.408706536e-16 5.847944714099999e-14 7.209794853e-15 ] [ 2.93198324022e-14 -6.248488872599999e-14 4.806529901999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.447925 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.955683438078445e-18 } }