{ "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" [ [ 1.104984 0.7498219 0.2438631 ] [ 0.0561128 2.748087 0.5245136 ] [ 1.296365 1.928403 2.567713 ] [ 2.230186 0.0250453 1.984887 ] [ 2.914783 2.131976 0.9359872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.104984e-10 7.498219000000001e-11 2.438631e-11 ] [ 5.61128e-12 2.748087e-10 5.245136000000001e-11 ] [ 1.296365e-10 1.928403e-10 2.567713e-10 ] [ 2.230186e-10 2.50453e-12 1.984887e-10 ] [ 2.914783e-10 2.131976e-10 9.359872e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9883333 -2.5293133 -6.4792863 ] [ -1.973352 1.8307396 0.0463705 ] [ -3.5725254 4.587664 5.5043009 ] [ 3.4274256 -6.5748823 2.9790727 ] [ 5.106785 2.6857921 -2.0504579 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.787837787864111e-09 -4.052406669325432e-09 -1.038096111485631e-08 ] [ -3.161658465057168e-09 2.933168210058506e-09 7.4293731606897e-11 ] [ -5.723816720251503e-09 7.350248065442975e-09 8.81886228848517e-09 ] [ 5.491341211093429e-09 -1.053412279236018e-08 4.773000670927292e-09 ] [ 8.18197160186169e-09 4.303113346401791e-09 -3.285195736380708e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1214937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.14098908053182e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2307405 0.9335572 -0.1322534 ] [ -0.3664931 2.4469105 0.8245986 ] [ 1.3230751 2.3399353 2.524858 ] [ 2.0882416 -0.0713936 2.0722022 ] [ 3.3268666 1.9343238 0.9675586 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2307405e-10 9.335572e-11 -1.322534e-11 ] [ -3.664931e-11 2.4469105e-10 8.245986e-11 ] [ 1.3230751e-10 2.3399353e-10 2.524858e-10 ] [ 2.0882416e-10 -7.13936e-12 2.0722022e-10 ] [ 3.3268666e-10 1.9343238e-10 9.675586000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-05 6.6e-06 -8.3e-06 ] [ -9.7e-06 7.5e-06 4.3e-06 ] [ 4e-07 -1.31e-05 -2.25e-05 ] [ 1.76e-05 1.02e-05 9.4e-06 ] [ 3.7e-06 -1.12e-05 1.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.9226119608e-14 1.05743657844e-14 -1.32980660622e-14 ] [ -1.55411133498e-14 1.2016324755e-14 6.8893595262e-15 ] [ 6.408706536e-16 -2.09885139054e-14 -3.6048974265e-14 ] [ 2.81983087584e-14 1.63422016668e-14 1.50604603596e-14 ] [ 5.9280535458e-15 -1.79443783008e-14 2.723700277799999e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }