{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.426259 1.696941 2.248909 ] [ 1.360678 2.530518 4.32015 ] [ 2.124458 3.992448 3.096339 ] [ 3.479806 2.793816 1.249034 ] [ 3.515691 1.341825 3.018021 ] [ 4.217135 3.723991 3.061085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.426259e-10 1.696941e-10 2.248909e-10 ] [ 1.360678e-10 2.530518e-10 4.32015e-10 ] [ 2.124458e-10 3.992448e-10 3.096339e-10 ] [ 3.479806e-10 2.793816e-10 1.249034e-10 ] [ 3.515691e-10 1.341825e-10 3.018021e-10 ] [ 4.217135e-10 3.723991e-10 3.061085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.951733 -16.5478624 -10.4388718 ] [ -12.1335016 -0.7342569 16.9851068 ] [ -15.2728664 38.4625456 8.3801063 ] [ 10.218779 0.2650226 -27.8138142 ] [ 19.4331311 -33.3261815 5.9542782 ] [ 15.7061908 11.8807327 6.9331946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.876184691544385e-08 -2.651259826149538e-08 -1.672491634548841e-08 ] [ -1.94400125919594e-08 -1.176409238841084e-09 2.72131410167511e-08 ] [ -2.446982947868186e-08 6.16237913367739e-08 1.342641039367879e-08 ] [ 1.6372288806922e-08 4.246130137036301e-10 -4.456264284651506e-08 ] [ 3.113530831736139e-08 -5.339442885983747e-08 9.539805325779107e-09 ] [ 2.516409170158405e-08 1.903503216991406e-08 1.110820229557681e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.443439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.474311691055093e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8095186 1.2486343 2.2322859 ] [ 0.7040918 2.834864 3.6345268 ] [ 2.4351719 4.4350379 4.0392698 ] [ 2.9665368 2.9022122 0.7595323 ] [ 3.9466007 1.1430896 3.5221457 ] [ 4.2621072 3.515701 2.8057775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8095186e-10 1.2486343e-10 2.2322859e-10 ] [ 7.040918000000001e-11 2.834864e-10 3.6345268e-10 ] [ 2.4351719e-10 4.4350379e-10 4.0392698e-10 ] [ 2.9665368e-10 2.9022122e-10 7.595323000000001e-11 ] [ 3.9466007e-10 1.1430896e-10 3.5221457e-10 ] [ 4.2621072e-10 3.515701e-10 2.8057775e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.56e-05 -2.44e-05 -1.6e-06 ] [ -1.83e-05 2.04e-05 -3.33e-05 ] [ 1.46e-05 -8e-07 4.42e-05 ] [ -2.15e-05 -1.08e-05 -3.11e-05 ] [ 2.97e-05 -3.1e-06 1.53e-05 ] [ 1.11e-05 1.88e-05 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.499395528448e-14 -3.909310954752e-14 -2.56348259328e-15 ] [ -2.931983216064e-14 3.268440306432e-14 -5.335248147264001e-14 ] [ 2.339177866368e-14 -1.28174129664e-15 7.081620663936001e-14 ] [ -3.44467973472e-14 -1.730350750464e-14 -4.982769290688e-14 ] [ 4.758464563776e-14 -4.96674752448e-15 2.451330229824e-14 ] [ 1.778416049088e-14 3.012092047104e-14 1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }