{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1709698 -0.8866965 -0.9274064 ] [ -1.2057154 -3.1646684 -2.2194124 ] [ -7.9458696 0.2094688 3.8598007 ] [ 4.4063522 4.2826365 -10.7187191 ] [ -2.0667546 1.8178991 19.0393668 ] [ 8.8590418 -3.1525804 -2.5393921 ] [ -2.2180243 0.8939409 -6.4942375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.739238164228519e-10 -1.420644402045187e-09 -1.485868852060293e-09 ] [ -1.931769025218521e-09 -5.070357723064543e-09 -3.555890659193618e-09 ] [ -1.273068650504545e-08 3.356060141470311e-10 6.184082442487475e-09 ] [ 7.059754477850645e-09 6.861540075684739e-09 -1.717328114694242e-08 ] [ -3.311305901050856e-09 2.912595436993361e-09 3.050442836179571e-08 ] [ 1.419374965464995e-08 -5.050990612072313e-09 -4.068554653664216e-09 ] [ -3.553666677826286e-09 1.432251210356911e-09 -1.040491549242264e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5445112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.368981608080375e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0055567 1.3452286 0.0575947 ] [ 3.0233695 0.9186888 2.3586022 ] [ 2.2466634 3.1858885 3.1669976 ] [ 5.1086271 2.1164145 1.9731522 ] [ 4.3306742 3.2669391 5.3867264 ] [ 4.7399853 3.7738891 3.0132001 ] [ 2.5027538 3.7258583 0.7886868 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0055567e-10 1.3452286e-10 5.75947e-12 ] [ 3.0233695e-10 9.186888e-11 2.3586022e-10 ] [ 2.2466634e-10 3.1858885e-10 3.1669976e-10 ] [ 5.1086271e-10 2.1164145e-10 1.9731522e-10 ] [ 4.3306742e-10 3.2669391e-10 5.3867264e-10 ] [ 4.7399853e-10 3.7738891e-10 3.0132001e-10 ] [ 2.5027538e-10 3.7258583e-10 7.886868000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.31e-05 -1.67e-05 6.39e-05 ] [ -1.15e-05 -2.42e-05 1.92e-05 ] [ -3.78e-05 3.43e-05 -6.62e-05 ] [ 3.54e-05 6.46e-05 -3.21e-05 ] [ 1.99e-05 -1.63e-05 -9.8e-06 ] [ -2.67e-05 -7.65e-05 2.8e-05 ] [ 7.6e-06 3.49e-05 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.098851373248e-14 -2.675634956736e-14 1.0237908606912e-13 ] [ -1.84250311392e-14 -3.877267422336e-14 3.076179111936e-14 ] [ -6.056227626623999e-14 5.495465809344e-14 -1.0606409229696e-13 ] [ 5.671705237632e-14 1.0350060970368e-13 -5.142986952768e-14 ] [ 3.188331475392e-14 -2.611547891904e-14 -1.570133088384e-14 ] [ -4.277811577536e-14 -1.225665114912e-13 4.48609453824e-14 ] [ 1.217654231808e-14 5.591596406592e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.385234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.785421546193727e-18 } }