{ "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" [ [ 0.1135843 1.090818 0.6070393 ] [ 0.463669 0.0470556 2.807524 ] [ 1.463077 2.472969 2.736641 ] [ 1.89694 0.8949072 0.1877689 ] [ 2.774068 0.9895664 2.110174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135843e-11 1.090818e-10 6.070393e-11 ] [ 4.63669e-11 4.705560000000001e-12 2.807524e-10 ] [ 1.463077e-10 2.472969e-10 2.736641e-10 ] [ 1.89694e-10 8.949072000000001e-11 1.877689e-11 ] [ 2.774068e-10 9.895664e-11 2.110174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.4733216 1.2119462 3.9818178 ] [ 0.7742257 1.5669109 -0.4890268 ] [ -4.2239582 3.7379962 3.1931833 ] [ 12.8773979 -2.4697943 -8.0265668 ] [ 4.0456562 -4.0470591 1.3405925 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.158664087203965e-08 1.941751867307401e-09 6.379575387445291e-09 ] [ 1.240446315762515e-09 2.510468010856687e-09 -7.835073059046374e-10 ] [ -6.767527075276451e-09 5.988930120279241e-09 5.116043629188993e-09 ] [ 2.063186585211902e-08 -3.957046685645102e-09 -1.285997767224947e-08 ] [ 6.481855779434569e-09 -6.48410347301589e-09 2.147865961519824e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8312919 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.575146603444041e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0797903 1.2991312 0.8344481 ] [ 0.5929771 0.1115035 2.906403 ] [ 1.0911238 2.472216 2.7233205 ] [ 2.1544507 0.7860382 -0.1368377 ] [ 2.7929963 0.8264273 2.1218134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.97903e-12 1.2991312e-10 8.344481000000001e-11 ] [ 5.929771e-11 1.115035e-11 2.906403e-10 ] [ 1.0911238e-10 2.472216e-10 2.7233205e-10 ] [ 2.1544507e-10 7.860382e-11 -1.368377e-11 ] [ 2.7929963e-10 8.264273e-11 2.1218134e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.2e-05 -4.55e-05 1.79e-05 ] [ -2.38e-05 5e-05 -2.4e-06 ] [ 1.2e-06 -1.96e-05 6.83e-05 ] [ 8.9e-06 -1.66e-05 -2.5e-05 ] [ -6.83e-05 3.17e-05 -5.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.313784829056e-13 -7.28990362464e-14 2.867896151232001e-14 ] [ -3.813180357504e-14 8.010883104e-14 -3.84522388992e-15 ] [ 1.92261194496e-15 -3.140266176767999e-14 1.0942866320064e-13 ] [ 1.425937192512e-14 -2.659613190528e-14 -4.005441552e-14 ] [ -1.0942866320064e-13 5.078899887936e-14 -9.420798530304e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.226263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.279298597995207e-18 } }