{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0059003 -2.5146424 -2.8164371 ] [ -1.1013612 -3.423166 -1.6146868 ] [ 2.6902132 -3.4870114 0.6911261 ] [ -1.4789291 2.1507699 -4.2872473 ] [ 11.7571373 -2.2764179 -1.1779556 ] [ -7.4550099 11.6195043 -4.2175367 ] [ 0.5938499 -2.0690364 13.4227374 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.020336426715707e-09 -4.028901262952402e-09 -4.512429675573752e-09 ] [ -1.764575165696233e-09 -5.484516534317454e-09 -2.587013440874366e-09 ] [ 4.310196694007555e-09 -5.586808141543077e-09 1.107306079444683e-09 ] [ -2.369505627840785e-09 3.445913250500354e-09 -6.868927391647924e-09 ] [ 1.883701050959564e-08 -3.647223538550633e-09 -1.887292922660437e-09 ] [ -1.194424256961255e-08 1.861649813474507e-08 -6.757238698105984e-09 ] [ 9.51452426044418e-10 -3.314961747664197e-09 2.150559604941778e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.402393 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.666647086497358e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8438316 2.2060443 2.9508627 ] [ 3.5163954 1.6825079 1.0948483 ] [ 4.3336926 1.5067259 3.6179749 ] [ 3.5475206 4.1249986 0.3847955 ] [ 5.2809807 3.3787139 2.1637807 ] [ 3.0294442 4.5527149 2.8526018 ] [ 3.0512989 3.1970444 5.0212613 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8438316e-10 2.2060443e-10 2.9508627e-10 ] [ 3.5163954e-10 1.6825079e-10 1.0948483e-10 ] [ 4.3336926e-10 1.5067259e-10 3.6179749e-10 ] [ 3.5475206e-10 4.1249986e-10 3.847955e-11 ] [ 5.2809807e-10 3.3787139e-10 2.1637807e-10 ] [ 3.0294442e-10 4.5527149e-10 2.8526018e-10 ] [ 3.0512989e-10 3.1970444e-10 5.0212613e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.71e-05 3.22e-05 1.54e-05 ] [ -1.11e-05 -3.33e-05 -1.32e-05 ] [ 2.86e-05 6.2e-06 -9e-07 ] [ 1.63e-05 4.4e-06 -1.91e-05 ] [ 1.55e-05 2.37e-05 8.4e-06 ] [ -1.06e-05 -8e-06 -3.9e-06 ] [ -1.6e-06 -2.52e-05 1.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.944075263168e-14 5.159008718975999e-14 2.467351996032e-14 ] [ -1.778416049088e-14 -5.335248147264001e-14 -2.114873139456e-14 ] [ 4.582225135488e-14 9.93349504896e-15 -1.44195895872e-15 ] [ 2.611547891904e-14 7.04957713152e-15 -3.060157345728e-14 ] [ 2.48337376224e-14 3.797158591296e-14 1.345828361472e-14 ] [ -1.698307218048e-14 -1.28174129664e-14 -6.24848882112e-15 ] [ -2.56348259328e-15 -4.037485084416e-14 2.130894905664e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.515581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.646087775712869e-18 } }