{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5401315 -11.4619891 -7.1417432 ] [ -10.7821284 10.3270147 1.5360702 ] [ -1.6054146 -4.2135731 4.8298549 ] [ 0.1973213 0.1283575 -4.1334665 ] [ 4.5745045 1.9247673 4.2536997 ] [ 2.4317221 -0.7816839 -3.7223134 ] [ 2.6438637 4.0771066 4.3778982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.069739336587371e-09 -1.836413111518269e-08 -1.144233408106839e-08 ] [ -1.72748741872678e-08 1.654570165131452e-08 2.461055782623706e-09 ] [ -2.572157760002456e-09 -6.750888366470945e-09 7.738280666390406e-09 ] [ 3.161435762505042e-10 2.05651387298655e-10 -6.62254344372176e-09 ] [ 7.329164222027852e-09 3.083817193947268e-09 6.815178267392809e-09 ] [ 3.896048329001411e-09 -1.252395679753992e-09 -5.963803553905095e-09 ] [ 4.235936643620785e-09 6.532244928847183e-09 7.014166202070657e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.222893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.438976346648216e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2978502 1.1745326 2.032138 ] [ 1.1762335 3.2877577 2.7480778 ] [ 2.4624168 1.9267439 4.4249884 ] [ 3.1351807 3.3758184 1.2017581 ] [ 4.6432588 2.8558474 5.0991635 ] [ 4.5428184 2.0202651 2.7827971 ] [ 3.3516595 4.264518 3.5431232 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2978502e-10 1.1745326e-10 2.032138e-10 ] [ 1.1762335e-10 3.2877577e-10 2.7480778e-10 ] [ 2.4624168e-10 1.9267439e-10 4.4249884e-10 ] [ 3.1351807e-10 3.3758184e-10 1.2017581e-10 ] [ 4.6432588e-10 2.8558474e-10 5.0991635e-10 ] [ 4.5428184e-10 2.0202651e-10 2.7827971e-10 ] [ 3.3516595e-10 4.264518e-10 3.5431232e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 -2.22e-05 -8.1e-06 ] [ 8.8e-06 -2.6e-06 2e-06 ] [ -3.11e-05 5.8e-06 -7.3e-06 ] [ -3e-07 1.4e-06 1.09e-05 ] [ 1.04e-05 1.46e-05 -1.71e-05 ] [ 2.9e-06 1.96e-05 4.1e-06 ] [ 1.66e-05 -1.67e-05 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.15356717648e-14 -3.55683212748e-14 -1.29776307354e-14 ] [ 1.40991543792e-14 -4.165659248399999e-15 3.204353268e-15 ] [ -4.982769331739999e-14 9.2926244772e-15 -1.16958894282e-14 ] [ -4.806529901999999e-16 2.2430472876e-15 1.74637253106e-14 ] [ 1.66626369936e-14 2.33917788564e-14 -2.73972204414e-14 ] [ 4.6463122386e-15 3.140266202639999e-14 6.568924199399999e-15 ] [ 2.65961321244e-14 -2.67563497878e-14 2.4833737827e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.073267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.536527262344328e-18 } }