{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5426656 -1.1067404 -2.3059589 ] [ -0.342999 -1.2108163 0.5970592 ] [ -1.6479869 3.6773992 -1.3379122 ] [ 1.8300228 0.4432425 0.1225505 ] [ 1.2018853 -0.7307576 0.853031 ] [ -0.1874674 -1.4054043 0.5583206 ] [ 1.6892108 0.3330769 1.5129099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.073799378832404e-09 -1.773193594174841e-09 -3.694553438105685e-09 ] [ -5.495449787577792e-10 -1.939941567943559e-09 9.565942914735515e-10 ] [ -2.640366082564667e-09 5.891843023588623e-09 -2.143571647523094e-09 ] [ 2.932019745690954e-09 7.10152770844944e-10 1.963475459673504e-10 ] [ 1.925632528543194e-09 -1.170802742191918e-09 1.366706325017645e-09 ] [ -3.00355885442162e-10 -2.25170591223179e-09 8.945282122310283e-10 ] [ 2.706414051362864e-09 5.336480221085396e-10 2.423948871156866e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.546203085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.209035015951302e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5157307 2.5284789 1.9380495 ] [ 2.0058962 2.5675213 4.2339604 ] [ 2.1536189 4.6004506 2.9908921 ] [ 4.7566955 2.0814059 1.473276 ] [ 4.2385727 2.0111853 3.7458054 ] [ 4.3963657 4.1827327 2.4179403 ] [ 3.7664894 4.1161893 4.6832244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5157307e-10 2.5284789e-10 1.9380495e-10 ] [ 2.0058962e-10 2.5675213e-10 4.2339604e-10 ] [ 2.1536189e-10 4.6004506e-10 2.9908921e-10 ] [ 4.7566955e-10 2.0814059e-10 1.473276e-10 ] [ 4.2385727e-10 2.0111853e-10 3.7458054e-10 ] [ 4.3963657e-10 4.1827327e-10 2.4179403e-10 ] [ 3.7664894e-10 4.116189300000001e-10 4.6832244e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.46e-05 -4e-05 -1e-05 ] [ -1.04e-05 4.9e-06 4.83e-05 ] [ -1.57e-05 4.18e-05 -1.68e-05 ] [ -9.5e-06 8.8e-06 -4.04e-05 ] [ -2.1e-06 1.19e-05 -7.6e-06 ] [ 1.71e-05 -1.57e-05 2.98e-05 ] [ -1.4e-05 -1.17e-05 -3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.543531107968001e-14 -6.4087064832e-14 -1.6021766208e-14 ] [ -1.666263685632e-14 7.850665441919999e-15 7.738513078464e-14 ] [ -2.515417294656e-14 6.697098274944e-14 -2.691656722944e-14 ] [ -1.52206778976e-14 1.409915426304e-14 -6.472793548032e-14 ] [ -3.36457090368e-15 1.906590178752e-14 -1.217654231808e-14 ] [ 2.739722021568e-14 -2.515417294656e-14 4.774486329984001e-14 ] [ -2.24304726912e-14 -1.874546646336e-14 -5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }