{ "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" [ [ 2.739238186796531e-10 -1.420644413749581e-09 -1.485868864302057e-09 ] [ -1.931769041133963e-09 -5.070357764838165e-09 -3.555890688489861e-09 ] [ -1.273068660993092e-08 3.356060169120192e-10 6.184082493436843e-09 ] [ 7.059754536014494e-09 6.86154013221554e-09 -1.717328128842951e-08 ] [ -3.311305928332016e-09 2.912595460989629e-09 3.050442861311535e-08 ] [ 1.41937497715893e-08 -5.050990653686374e-09 -4.068554687184192e-09 ] [ -3.553666707104206e-09 1.43225122215693e-09 -1.040491557814657e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5445112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.36898161935913e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.005568 1.3452342 0.0575966 ] [ 3.0233641 0.9186857 2.3586033 ] [ 2.2466626 3.1858825 3.1669968 ] [ 5.1086217 2.1164134 1.9731523 ] [ 4.3306785 3.2669449 5.3867253 ] [ 4.7399824 3.7738849 3.0131955 ] [ 2.5027527 3.7258613 0.7886901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.005568e-10 1.3452342e-10 5.75966e-12 ] [ 3.0233641e-10 9.186857e-11 2.3586033e-10 ] [ 2.2466626e-10 3.1858825e-10 3.1669968e-10 ] [ 5.1086217e-10 2.1164134e-10 1.9731523e-10 ] [ 4.3306785e-10 3.2669449e-10 5.386725300000001e-10 ] [ 4.7399824e-10 3.7738849e-10 3.0131955e-10 ] [ 2.5027527e-10 3.7258613e-10 7.886900999999999e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.8e-06 -3.79e-05 3.48e-05 ] [ 7.6e-06 -2.24e-05 2.48e-05 ] [ -4.32e-05 4.59e-05 2.91e-05 ] [ 8.1e-06 -4.62e-05 -0.0001686 ] [ -4.49e-05 -2.69e-05 -4.02e-05 ] [ 5.43e-05 9.26e-05 0.000163 ] [ 2.68e-05 -5.1e-06 -4.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.40991543792e-14 -6.072249442859999e-14 5.575574686319999e-14 ] [ 1.21765424184e-14 -3.588875660159999e-14 3.97339805232e-14 ] [ -6.92140305888e-14 7.353990750059999e-14 4.66233400494e-14 ] [ 1.29776307354e-14 -7.40205604908e-14 -2.701269804924e-13 ] [ -7.193773086659999e-14 -4.309855145459999e-14 -6.44075006868e-14 ] [ 8.69981912262e-14 1.483615563084e-13 2.61154791342e-13 ] [ 4.293833379119999e-14 -8.1711008334e-15 -6.857315993519999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.385234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.785421569142236e-18 } }