{ "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" [ [ -0.9340132 -0.9708409 -0.8150682 ] [ -1.47175 -8.5720512 -1.1838969 ] [ -12.2981957 2.685638 5.6937313 ] [ 13.5389543 -18.3802974 -7.9231854 ] [ 1.7674106 -4.7439134 12.6573753 ] [ 1.9902864 28.7315244 3.8037469 ] [ -2.5926924 1.2499404 -12.232703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.496454112558594e-09 -1.555458592496431e-09 -1.305883214397539e-09 ] [ -2.3580034416624e-09 -1.373394002494059e-08 -1.896811934617595e-09 ] [ -1.970388162856309e-08 4.302866415532071e-09 9.122363173977191e-09 ] [ 2.169179604953963e-08 -2.944848277763103e-08 -1.26943424101439e-08 ] [ 2.831703942674101e-09 -7.60058714057984e-09 2.027935078635139e-08 ] [ 3.188790338776197e-09 4.603297667362475e-08 6.094274354620476e-09 ] [ -4.153951148205842e-09 2.0026252862734e-09 -1.959895075579003e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.652728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.027190499094154e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0119444 1.5895655 0.6659647 ] [ 2.7613745 0.5719268 2.402384 ] [ 1.929426 3.2706204 3.5465919 ] [ 5.403208 2.2564626 2.242478 ] [ 4.2285768 2.7454737 4.5436238 ] [ 4.5967667 4.5013805 2.930767 ] [ 3.0263336 3.3974774 0.4131504 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0119444e-10 1.5895655e-10 6.659647e-11 ] [ 2.7613745e-10 5.719268e-11 2.402384e-10 ] [ 1.929426e-10 3.2706204e-10 3.5465919e-10 ] [ 5.403208e-10 2.2564626e-10 2.242478e-10 ] [ 4.2285768e-10 2.7454737e-10 4.5436238e-10 ] [ 4.5967667e-10 4.5013805e-10 2.930767e-10 ] [ 3.0263336e-10 3.3974774e-10 4.131504e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.4337758 -1.0725237 0.0380843 ] [ -0.4092989 0.8226281 -2.3161169 ] [ 1.7311275 0.5742706 1.5616913 ] [ 0.854301 0.9716648 0.2327919 ] [ -1.7962313 -0.1518446 1.2525909 ] [ 0.4211841 0.0098064 -0.7748353 ] [ -0.3673066 -1.1540015 0.0057938 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.949854454288166e-10 -1.718372397393913e-09 6.101777507953344e-11 ] [ -6.557691284991571e-10 1.317995509433124e-09 -3.710828348219771e-09 ] [ 2.773572008123952e-09 9.200829293327885e-10 2.502105289766759e-09 ] [ 1.368741089326061e-09 1.556778625814308e-09 3.729737396916115e-10 ] [ -2.877879794409191e-09 -2.432818681147277e-10 2.006871855406831e-09 ] [ 6.748113180726893e-10 1.571158481421312e-11 -1.241423002630554e-09 ] [ -5.884900471855372e-10 -1.848914223668131e-09 9.28269090559104e-12 ] ] } "relaxed-potential-energy" { "source-value" -15.307037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.452457681512057e-18 } }