{ "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" [ [ 0.4536692 0.4935842 -0.0160853 ] [ -2.6715795 -0.749448 -0.3934468 ] [ -3.6617484 14.6965202 -5.1216812 ] [ 7.042797 -15.1930927 -4.0880729 ] [ -1.1631383 0.7524363 9.6192863 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.268581858170394e-10 7.908090656362714e-10 -2.577149159855424e-11 ] [ -4.280342215508554e-09 -1.200748064105319e-09 -6.303712644885735e-10 ] [ -5.866767677731807e-09 2.354642107155494e-08 -8.20583787783089e-09 ] [ 1.128380469844038e-08 -2.434201792158715e-08 -6.549814824506057e-09 ] [ -1.863552991017057e-09 1.205535848501255e-09 1.541179561864174e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4539199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.354467281789588e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9036668 0.4761379 2.5827578 ] [ 0.3861817 1.5213966 0.5011663 ] [ 2.0581835 3.1726902 0.9147129 ] [ 2.6983781 0.796716 0.9300065 ] [ 2.5756989 2.1274062 2.9962865 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.036668e-11 4.761379e-11 2.5827578e-10 ] [ 3.861817e-11 1.5213966e-10 5.011663e-11 ] [ 2.0581835e-10 3.1726902e-10 9.147129e-11 ] [ 2.6983781e-10 7.96716e-11 9.300065e-11 ] [ 2.5756989e-10 2.1274062e-10 2.9962865e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.09e-05 -2e-06 -5.1e-06 ] [ 1.22e-05 3.6e-06 1.31e-05 ] [ 6.6e-06 -5.6e-06 4.6e-06 ] [ -1.25e-05 -1.7e-06 -1.4e-06 ] [ -1.72e-05 5.7e-06 -1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.746372516672e-14 -3.2043532416e-15 -8.17110076608e-15 ] [ 1.954655477376e-14 5.76783583488e-15 2.098851373248e-14 ] [ 1.057436569728e-14 -8.972189076479999e-15 7.370012455680001e-15 ] [ -2.002720776e-14 -2.72370025536e-15 -2.24304726912e-15 ] [ -2.755743787776e-14 9.13240673856e-15 -1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }