{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.8894446 -5.2806575 3.3037698 ] [ 3.8943529 1.1261789 -9.3586604 ] [ 18.5981035 -34.0025528 15.430486 ] [ 7.8204221 19.7871849 -34.2897224 ] [ -15.4234339 18.3698466 24.914127 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.385552023135748e-08 -8.460546058656854e-09 5.293222777674853e-09 ] [ 6.239441220930137e-09 1.804337519283822e-09 -1.499422701842109e-08 ] [ 2.979744686441362e-08 -5.447809559251126e-08 2.472236412046412e-08 ] [ 1.252969755663721e-08 3.170256529941762e-08 -5.49381920156264e-08 ] [ -2.471106541062349e-08 2.943173899268434e-08 3.991683213590851e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.8173585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.572914239630129e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9998326 0.1323408 0.8459074 ] [ -0.5468669 -0.5001883 2.4193457 ] [ 3.4839313 0.1769962 1.1240956 ] [ 2.2298225 2.3066292 0.7472275 ] [ 2.0342466 4.0626341 2.2122759 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.998326e-11 1.323408e-11 8.459074e-11 ] [ -5.468669000000001e-11 -5.001883e-11 2.4193457e-10 ] [ 3.4839313e-10 1.769962e-11 1.1240956e-10 ] [ 2.2298225e-10 2.3066292e-10 7.472275000000001e-11 ] [ 2.0342466e-10 4.0626341e-10 2.2122759e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0012297 -0.000846 3.49e-05 ] [ -2.76e-05 0.0001306 -6.15e-05 ] [ 0.0011966 -0.0004685 4.58e-05 ] [ 0.0001015 0.0013924 0.0001778 ] [ -4.08e-05 -0.0002084 -0.0001971 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.9701966068298e-12 -1.355441432364e-12 5.59159645266e-14 ] [ -4.42200750984e-14 2.092442684004e-13 -9.8533862991e-14 ] [ 1.9171645602444e-12 -7.506197530289998e-13 7.33796898372e-14 ] [ 1.62620928351e-13 2.2308707451816e-12 2.848670055252e-13 ] [ -6.53688066672e-14 -3.338936105256e-13 -3.157890145614e-13 ] ] } "relaxed-potential-energy" { "source-value" -10.138955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.624439679417747e-18 } }