{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1632245 -1.2009408 -0.6692625 ] [ -3.2870441 -4.0904664 4.4057152 ] [ 0.8517778 6.5097253 -3.7400667 ] [ 1.6948752 -1.2502308 -0.0138148 ] [ 0.1413852 0.3935264 0.6137582 ] [ -2.5691265 -0.8772396 3.645456 ] [ 3.331357 0.5156259 -4.2417853 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.615144778417696e-10 -1.924119272724848e-09 -1.07227673067816e-09 ] [ -5.266425208558578e-09 -6.553649634247941e-09 7.058733891343197e-09 ] [ 1.364698477276458e-09 1.042972968349027e-08 -5.992247426972607e-09 ] [ 2.715489420613724e-09 -2.003090558364081e-09 -2.213374958102784e-11 ] [ 2.265240619671321e-10 6.304987977475892e-10 9.833490388642907e-10 ] [ -4.116194414177731e-09 -1.405492777959944e-09 5.840664375355085e-09 ] [ 5.337422300938426e-09 8.261237620589588e-10 -6.796089238113114e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.873246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.863609687900712e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4764805 1.3631678 1.4982029 ] [ 2.0903494 2.1552083 3.7635246 ] [ 3.0487319 3.6484868 2.0866894 ] [ 4.7736286 2.0798842 1.5355959 ] [ 4.1372886 2.4750658 5.0346813 ] [ 3.3794973 0.2257377 4.5220937 ] [ 5.3977077 1.067814 3.5437221 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4764805e-10 1.3631678e-10 1.4982029e-10 ] [ 2.0903494e-10 2.1552083e-10 3.7635246e-10 ] [ 3.0487319e-10 3.648486800000001e-10 2.0866894e-10 ] [ 4.7736286e-10 2.0798842e-10 1.5355959e-10 ] [ 4.1372886e-10 2.4750658e-10 5.0346813e-10 ] [ 3.3794973e-10 2.257377e-11 4.5220937e-10 ] [ 5.3977077e-10 1.067814e-10 3.5437221e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.07e-05 -2.36e-05 -1.4e-06 ] [ 7.9e-06 -1.38e-05 2.85e-05 ] [ 3.3e-05 2.39e-05 -3.6e-06 ] [ 1.52e-05 -5.84e-05 1.01e-05 ] [ -2.73e-05 1.82e-05 5.18e-05 ] [ -2.56e-05 -2.6e-06 -5.68e-05 ] [ 4.75e-05 5.63e-05 -2.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.123035467456e-14 -3.781136825088e-14 -2.24304726912e-15 ] [ 1.265719530432e-14 -2.211003736704e-14 4.56620336928e-14 ] [ 5.28718284864e-14 3.829202123712e-14 -5.76783583488e-15 ] [ 2.435308463616e-14 -9.356711465472001e-14 1.618198387008e-14 ] [ -4.373942174784e-14 2.915961449856e-14 8.299274895744e-14 ] [ -4.101572149248001e-14 -4.16565921408e-15 -9.100363206143999e-14 ] [ 7.610338948800001e-14 9.020254375104e-14 -4.598246901696e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.159824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.390177531304274e-18 } }