{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.3151082 11.0396143 -2.1108407 ] [ -0.8087862 -2.590599 1.2148702 ] [ 4.0226123 -8.9345414 10.6622118 ] [ 0.8087862 2.590599 -1.2148702 ] [ -10.0093507 7.3233777 -5.0566792 ] [ 0.1616486 0.2826723 -0.1011217 ] [ -5.4900185 -9.7111229 -3.3935701 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.812880181986237e-08 1.768741193410936e-08 -3.381939619773106e-09 ] [ -1.295818340865673e-09 -4.150597151667859e-09 1.94643663174662e-09 ] [ 6.444935381602515e-09 -1.43147133486497e-08 1.708274647197789e-08 ] [ 1.295818340865673e-09 4.150597151667859e-09 -1.94643663174662e-09 ] [ -1.603674768092811e-08 1.173334453622808e-08 -8.101693193125646e-09 ] [ 2.589896077050509e-10 4.528909504077638e-10 -1.620148235955514e-10 ] [ -8.795979288459484e-09 -1.55589340720955e-08 -5.437098675265918e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6449894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.385079990374382e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4791819 1.3441852 4.1965833 ] [ 1.9451844 5.3090982 2.0045132 ] [ 3.344386 2.8168928 0.5587915 ] [ 1.3280143 3.3932509 2.8851034 ] [ 2.7860936 1.2649102 2.0181943 ] [ 4.06941 4.9851104 3.9693149 ] [ 3.0940567 3.2997893 4.9986943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4791819e-10 1.3441852e-10 4.1965833e-10 ] [ 1.9451844e-10 5.3090982e-10 2.0045132e-10 ] [ 3.344386e-10 2.8168928e-10 5.587915e-11 ] [ 1.3280143e-10 3.3932509e-10 2.8851034e-10 ] [ 2.7860936e-10 1.2649102e-10 2.0181943e-10 ] [ 4.069410000000001e-10 4.9851104e-10 3.9693149e-10 ] [ 3.0940567e-10 3.2997893e-10 4.998694300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0738007 -0.1703733 0.1207842 ] [ 0.0 0.0 -0.0 ] [ -0.0540378 -0.2941199 -0.0711118 ] [ -0.0 -0.0 0.0 ] [ 0.0043026 0.0478877 -0.4621893 ] [ -0.0822341 0.0068587 0.3287799 ] [ 0.2057701 0.4097468 0.083737 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.182417561386746e-10 -2.729681180685447e-10 1.935176214020313e-10 ] [ 0.0 0.0 0.0 ] [ -8.657809979946624e-11 -4.71232027492034e-10 -1.139336634230054e-10 ] [ 0.0 0.0 0.0 ] [ 6.89352512865408e-12 7.672455336388415e-11 -7.405088908439175e-10 ] [ -1.317535524525293e-10 1.098884878908096e-11 5.267634691689619e-10 ] [ 3.296800434796781e-10 6.564867434076135e-10 1.341614636959296e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.343253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137824800201946e-18 } }