{ "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" [ [ 1.6644241 -2.1490011 -2.737379 ] [ -2.1561824 -1.6089848 0.9280615 ] [ 1.3977403 1.4397567 0.7066397 ] [ -2.0242701 2.3748196 1.494931 ] [ -0.9178581 0.3083665 -0.2613005 ] [ 2.2530175 -0.7674639 -0.2437062 ] [ -0.2168713 0.4025071 0.1127536 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.666701380116081e-09 -3.443079320493483e-09 -4.385764636068884e-09 ] [ -3.454585031460434e-09 -2.577877829782564e-09 1.486918437964579e-09 ] [ 2.239426830609978e-09 2.306744524380159e-09 1.132161606669126e-09 ] [ -3.243238228404478e-09 3.804880441737607e-09 2.395143497909165e-09 ] [ -1.470570789031908e-09 4.940575969379232e-10 -4.186495521033504e-10 ] [ 3.609731964753264e-09 -1.229612717887989e-09 -3.90460375984009e-10 ] [ -3.47466126582503e-10 6.448874653260077e-10 1.806511818310349e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.756471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.64598858081132e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3609044 1.2064862 1.6273509 ] [ 1.4684094 0.8953347 3.8643932 ] [ 2.3696275 2.6535698 5.1896993 ] [ 2.0014731 3.2355441 2.9124683 ] [ 3.7205381 0.1754021 3.3554109 ] [ 4.2535553 2.5154616 2.4034519 ] [ 4.5529772 1.9556442 4.6962815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3609044e-10 1.2064862e-10 1.6273509e-10 ] [ 1.4684094e-10 8.953347000000001e-11 3.8643932e-10 ] [ 2.3696275e-10 2.6535698e-10 5.1896993e-10 ] [ 2.0014731e-10 3.2355441e-10 2.9124683e-10 ] [ 3.7205381e-10 1.754021e-11 3.3554109e-10 ] [ 4.253555300000001e-10 2.5154616e-10 2.4034519e-10 ] [ 4.5529772e-10 1.9556442e-10 4.696281500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.13e-05 -8.2e-06 -3.6e-05 ] [ -2.6e-05 -1.15e-05 4.59e-05 ] [ 2.93e-05 1.27e-05 2.97e-05 ] [ -1.6e-06 1.75e-05 -5.97e-05 ] [ 1.37e-05 1.7e-06 2.18e-05 ] [ -4.37e-05 4.39e-05 4.12e-05 ] [ -1.29e-05 -5.62e-05 -4.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.616989443904001e-14 -1.313784829056e-14 -5.76783583488e-14 ] [ -4.16565921408e-14 -1.84250311392e-14 7.353990689472e-14 ] [ 4.694377498944e-14 2.034764308416e-14 4.758464563776e-14 ] [ -2.56348259328e-15 2.8038090864e-14 -9.564994426176e-14 ] [ 2.194981970496e-14 2.72370025536e-15 3.492745033344e-14 ] [ -7.001511832895999e-14 7.033555365312e-14 6.600967677696001e-14 ] [ -2.066807840832e-14 -9.004232608896e-14 -6.873337703232e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.628085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945854200207517e-18 } }