{ "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" [ [ 0.5834212 0.4864796 1.920549 ] [ 1.105833 1.594471 0.5913636 ] [ 0.1509893 2.698828 2.704799 ] [ 2.461816 0.3168887 1.8618 ] [ 2.990224 2.253685 0.1987983 ] [ 2.155559 1.839196 2.850141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.834212e-11 4.864796e-11 1.920549e-10 ] [ 1.105833e-10 1.594471e-10 5.913636000000001e-11 ] [ 1.509893e-11 2.698828e-10 2.704799e-10 ] [ 2.461816e-10 3.168887e-11 1.8618e-10 ] [ 2.990224e-10 2.253685e-10 1.987983e-11 ] [ 2.155559e-10 1.839196e-10 2.850141e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -137.6972205 -94.9859058 133.7181365 ] [ 31.8040691 101.9290879 -117.9867679 ] [ 1.0906831 -4.7710872 -4.7202879 ] [ 109.413749 -113.5544069 -76.6182883 ] [ 17.8884328 3.776808 0.9719352 ] [ -22.4997135 107.605504 64.6352725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.206152674342425e-07 -1.521841975782711e-07 2.142400720772432e-07 ] [ 5.09557359583277e-08 1.633084016128482e-07 -1.890356410931359e-07 ] [ 1.747466963521668e-09 -7.644124367638134e-09 -7.562734916825128e-09 ] [ 1.753001506418794e-07 -1.819342159239902e-07 -1.227560302399742e-07 ] [ 2.866042881491189e-08 6.051113478850407e-09 1.557211854372572e-09 ] [ -3.604851494439814e-08 1.724030227782009e-07 1.035571224785372e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 8.9219148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.429448330532951e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5734109 0.4549736 2.4308826 ] [ 1.0196739 1.7365439 0.6791444 ] [ 0.0385895 2.6084816 2.4553529 ] [ 2.47881 0.2016336 1.3311626 ] [ 3.1807068 2.19071 0.641854 ] [ 2.1566514 1.9972056 2.5890544 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.734109e-11 4.549736e-11 2.4308826e-10 ] [ 1.0196739e-10 1.7365439e-10 6.791444e-11 ] [ 3.85895e-12 2.6084816e-10 2.4553529e-10 ] [ 2.47881e-10 2.016336e-11 1.3311626e-10 ] [ 3.1807068e-10 2.19071e-10 6.418540000000001e-11 ] [ 2.1566514e-10 1.9972056e-10 2.5890544e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.18e-05 7.53e-05 -5.47e-05 ] [ 1.04e-05 -3.27e-05 4.41e-05 ] [ -4.78e-05 -8.66e-05 5.24e-05 ] [ 1.83e-05 0.0001169 -2e-05 ] [ 1.45e-05 -0.0001183 2.4e-05 ] [ 5.65e-05 4.54e-05 -4.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.299274895744e-14 1.2064389954624e-13 -8.763906115775999e-14 ] [ 1.666263685632e-14 -5.239117550016001e-14 7.065598897728e-14 ] [ -7.658404247424001e-14 -1.3874849536128e-13 8.395405492992e-14 ] [ 2.931983216064e-14 1.8729444697152e-13 -3.2043532416e-14 ] [ 2.32315610016e-14 -1.8953749424064e-13 3.84522388992e-14 ] [ 9.052297907519999e-14 7.273881858432e-14 -7.337968923264e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }