{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6535667 -5.6828328 -5.564569 ] [ -7.1976906 -4.1541345 1.8714735 ] [ 1.8476291 2.5387028 3.1768194 ] [ -4.9407784 8.5971805 -0.6852294 ] [ 0.3193069 -2.1453115 -0.5490747 ] [ 5.6398739 1.1603406 -2.1613831 ] [ 3.6780924 -0.3139451 3.9119634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.047129295500488e-09 -9.104901927088795e-09 -8.915422430080744e-09 ] [ -1.153197169808144e-08 -6.655657230393271e-09 2.998431112850199e-09 ] [ 2.960228172318449e-09 4.067450306830374e-09 5.089825813117899e-09 ] [ -7.915999706251905e-09 1.377420171538044e-08 -1.09785853360984e-09 ] [ 5.115860542549745e-10 -3.437167957951491e-09 -8.797146546605598e-10 ] [ 9.036074181286453e-09 1.85907059680154e-09 -3.462917499942485e-09 ] [ 5.892953700972981e-09 -5.029955035787933e-10 6.267656352543194e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.011171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.084619415717841e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8569556 0.8547039 2.2468729 ] [ 0.6892266 0.8171222 4.3285493 ] [ 2.1617092 2.5920372 4.9448722 ] [ 2.487631 3.2042645 2.5882472 ] [ 4.1951829 0.4534195 2.6488097 ] [ 4.9013593 2.8929396 2.5160762 ] [ 4.4354204 1.8229557 4.7756285 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8569556e-10 8.547039e-11 2.2468729e-10 ] [ 6.892266e-11 8.171222000000001e-11 4.3285493e-10 ] [ 2.1617092e-10 2.5920372e-10 4.9448722e-10 ] [ 2.487631e-10 3.2042645e-10 2.5882472e-10 ] [ 4.1951829e-10 4.534195e-11 2.648809700000001e-10 ] [ 4.9013593e-10 2.8929396e-10 2.5160762e-10 ] [ 4.4354204e-10 1.8229557e-10 4.7756285e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.5e-06 -5.2e-06 5.7e-06 ] [ 9.4e-06 1.02e-05 -5e-06 ] [ -2.5e-06 -6.6e-06 -4.5e-06 ] [ -9.7e-06 -4.8e-06 8.2e-06 ] [ 1.1e-06 1.04e-05 -9.2e-06 ] [ 1.34e-05 -7.8e-06 -6.1e-06 ] [ -6.3e-06 3.8e-06 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.811971486999999e-15 -8.331318496799998e-15 9.1324068138e-15 ] [ 1.50604603596e-14 1.63422016668e-14 -8.010883169999999e-15 ] [ -4.005441585e-15 -1.05743657844e-14 -7.209794853e-15 ] [ -1.55411133498e-14 -7.690447843199998e-15 1.31378483988e-14 ] [ 1.7623942974e-15 1.66626369936e-14 -1.47400250328e-14 ] [ 2.14691668956e-14 -1.24969777452e-14 -9.773277467399999e-15 ] [ -1.00937127942e-14 6.088271209199999e-15 1.74637253106e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.082717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.897170665663458e-18 } }