{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4563869 0.5735953 2.4895315 ] [ -4.096349 -0.409251 -2.2279582 ] [ -14.3520586 48.4071159 -18.5459643 ] [ 22.4754051 -49.0409321 -13.3938096 ] [ -4.4833843 0.4694719 31.6782007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.312124212193875e-10 9.190009794607624e-10 3.988669166045155e-09 ] [ -6.563074598437459e-09 -6.556923842390207e-10 -3.569582540159651e-09 ] [ -2.299453274927158e-08 7.755674937533596e-08 -2.971391041165144e-08 ] [ 3.600956859422909e-08 -7.857223487286024e-08 -2.14592486045666e-08 ] [ -7.183173507521774e-09 7.521769023025555e-10 5.07540725505502e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.28347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.807811183549817e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3961104 0.7260751 2.9897175 ] [ 0.5705722 1.4402826 0.7120987 ] [ 1.8344649 3.4104839 -0.1493832 ] [ 3.084165 1.6220725 1.0593693 ] [ 2.7367965 0.8954327 3.3131277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.961104e-11 7.260751e-11 2.9897175e-10 ] [ 5.705722e-11 1.4402826e-10 7.120987e-11 ] [ 1.8344649e-10 3.4104839e-10 -1.493832e-11 ] [ 3.084165e-10 1.6220725e-10 1.0593693e-10 ] [ 2.7367965e-10 8.954327e-11 3.3131277e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.58e-05 1.79e-05 1.44e-05 ] [ 1.75e-05 -1.9e-05 1.09e-05 ] [ -9.9e-06 -4.2e-06 3.3e-06 ] [ 2.28e-05 1.2e-05 2.66e-05 ] [ 5.4e-06 -6.7e-06 -5.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.735792302464001e-14 2.867896151232001e-14 2.307134333952e-14 ] [ 2.8038090864e-14 -3.04413557952e-14 1.746372516672e-14 ] [ -1.586154854592e-14 -6.72914180736e-15 5.28718284864e-15 ] [ 3.652962695424e-14 1.92261194496e-14 4.261789811328e-14 ] [ 8.65175375232e-15 -1.073458335936e-14 -8.844014946816001e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.268028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805337102411978e-18 } }