{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0796872 -1.0607858 -1.9403738 ] [ -1.7871696 -2.4586891 1.2048901 ] [ -0.1144625 0.3559053 -0.7203765 ] [ -0.6480287 0.3967539 0.0097417 ] [ -0.2204629 0.0707222 -0.0340844 ] [ -0.0971808 0.2606454 0.8458645 ] [ 2.7876173 2.4354481 0.6343383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.276729698688848e-10 -1.699566222438997e-09 -3.108821563585789e-09 ] [ -2.863361374115126e-09 -3.939254226290489e-09 1.930446764757924e-09 ] [ -1.83389142969225e-10 5.702231555767602e-10 -1.154170395982701e-09 ] [ -1.038256441301396e-09 6.356698280283725e-10 1.56079241154378e-11 ] [ -3.532205070438786e-10 1.133094563450748e-10 -5.46092292639096e-11 ] [ -1.557008070334272e-10 4.175999696395836e-10 1.355224337430093e-09 ] [ 4.466255302594168e-09 3.902018039139695e-09 1.016322002311282e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.538848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.130468572087763e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4905554 0.8423823 3.1150992 ] [ 2.5134808 1.9662334 5.1595253 ] [ 3.3290676 4.7497328 3.6202536 ] [ 1.6227665 3.0913776 3.2197684 ] [ 4.121146 1.5122067 1.6878772 ] [ 3.3061309 3.6258873 1.5758236 ] [ 4.1620088 3.5146369 5.3305723 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4905554e-10 8.423823000000001e-11 3.1150992e-10 ] [ 2.5134808e-10 1.9662334e-10 5.159525300000001e-10 ] [ 3.3290676e-10 4.749732800000001e-10 3.6202536e-10 ] [ 1.6227665e-10 3.0913776e-10 3.2197684e-10 ] [ 4.121146000000001e-10 1.5122067e-10 1.6878772e-10 ] [ 3.3061309e-10 3.6258873e-10 1.5758236e-10 ] [ 4.1620088e-10 3.5146369e-10 5.3305723e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 -4e-07 -1.16e-05 ] [ 1.57e-05 1.13e-05 2e-06 ] [ -9.4e-06 9.7e-06 -1.26e-05 ] [ -7.3e-06 1.3e-06 3.8e-06 ] [ 2e-07 2.4e-06 8.5e-06 ] [ 4.2e-06 -6e-06 -3.1e-06 ] [ -3e-07 -1.83e-05 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.1269652288e-15 -6.408706536e-16 -1.85852489544e-14 ] [ 2.515417315379999e-14 1.81045959642e-14 3.204353268e-15 ] [ -1.50604603596e-14 1.55411133498e-14 -2.01874255884e-14 ] [ -1.16958894282e-14 2.0828296242e-15 6.088271209199999e-15 ] [ 3.204353268e-16 3.845223921599999e-15 1.3618501389e-14 ] [ 6.729141862799999e-15 -9.613059803999999e-15 -4.9667475654e-15 ] [ -4.806529901999999e-16 -2.93198324022e-14 2.082829624199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.158644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.550206165792429e-18 } }