{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.8479064 -8.9543079 -21.9828289 ] [ -3.0442379 -8.4868653 19.9498047 ] [ -4.0097958 14.9718135 8.5165665 ] [ 11.8964315 -9.4381628 0.2724448 ] [ 0.9599317 9.3932272 -13.1710037 ] [ 2.0455768 2.5142953 6.4150166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.257373215630669e-08 -1.434638277282474e-08 -3.522037452262658e-08 ] [ -4.877406791533289e-09 -1.359745716753878e-08 3.196311067986596e-08 ] [ -6.424401084942033e-09 2.398748956067782e-08 1.364504373578848e-08 ] [ 1.906018442024868e-08 -1.512160378146427e-08 4.365046890185318e-10 ] [ 1.5379801273048e-09 1.504960901370265e-08 -2.11022742006103e-08 ] [ 3.277375325010878e-09 4.028345147447322e-09 1.027798961856391e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.090034948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.442518887405437e-20 } "relaxed-configuration-positions" { "source-value" [ [ -0.0909528 0.9810934 0.2997512 ] [ 0.8365768 0.0341452 2.4557095 ] [ 0.4925282 2.5918264 2.2855041 ] [ 3.1708682 0.6049874 2.0605084 ] [ 2.1769013 2.1278211 0.2214728 ] [ 2.9749114 3.0842828 2.5293952 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.09528e-12 9.810934e-11 2.997512e-11 ] [ 8.365768e-11 3.41452e-12 2.455709500000001e-10 ] [ 4.925282e-11 2.5918264e-10 2.2855041e-10 ] [ 3.1708682e-10 6.049874e-11 2.0605084e-10 ] [ 2.1769013e-10 2.1278211e-10 2.214728e-11 ] [ 2.9749114e-10 3.0842828e-10 2.5293952e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-05 8.4e-06 -1.2e-06 ] [ 9.6e-06 2.69e-05 -1.16e-05 ] [ -2.55e-05 -2.6e-05 1.1e-06 ] [ -7.7e-06 -2.06e-05 5.1e-06 ] [ -2.31e-05 -9.2e-06 8.4e-06 ] [ 2.77e-05 2.05e-05 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.04413557952e-14 1.345828361472e-14 -1.92261194496e-15 ] [ 1.538089555968e-14 4.309855109952001e-14 -1.858524880128e-14 ] [ -4.08555038304e-14 -4.16565921408e-14 1.76239428288e-15 ] [ -1.233675998016e-14 -3.300483838848e-14 8.17110076608e-15 ] [ -3.701027994048e-14 -1.474002491136e-14 1.345828361472e-14 ] [ 4.438029239616e-14 3.28446207264e-14 -3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.657752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.188213094708444e-18 } }