{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.9809927e-10 1.6082917e-10 8.68927e-11 ] [ 3.0721845e-10 7.646608000000001e-11 2.9281956e-10 ] [ 2.1632693e-10 3.1637782e-10 2.9451281e-10 ] [ 4.9194482e-10 2.1651314e-10 1.9903152e-10 ] [ 4.1314486e-10 2.4938435e-10 4.390706e-10 ] [ 4.3286637e-10 4.4744709e-10 2.8897888e-10 ] [ 3.361623e-10 3.6627304e-10 7.31899e-11 ] ] "source-value" [ [ 1.9809927 1.6082917 0.868927 ] [ 3.0721845 0.7646608 2.9281956 ] [ 2.1632693 3.1637782 2.9451281 ] [ 4.9194482 2.1651314 1.9903152 ] [ 4.1314486 2.4938435 4.390706 ] [ 4.3286637 4.4744709 2.8897888 ] [ 3.361623 3.6627304 0.731899 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.003409711946944e-11 3.73851892697472e-12 -3.75037503396864e-12 ] [ -6.91114907148288e-12 -2.13041425267776e-12 1.302681745073856e-11 ] [ 1.432858595513856e-11 -4.09211930718528e-12 -3.30464949806208e-12 ] [ -1.554399713967744e-11 3.42449230929792e-12 2.24993662858944e-12 ] [ -1.96362766645248e-12 3.279815760439681e-12 -1.332962883206976e-11 ] [ 2.93166278073984e-12 -8.835042757739522e-12 2.5698912997632e-13 ] [ -1.287541176007296e-11 4.61458910322816e-12 4.85091015479616e-12 ] ] "source-value" [ [ 0.0125043 0.0023334 -0.0023408 ] [ -0.0043136 -0.0013297 0.0081307 ] [ 0.0089432 -0.0025541 -0.0020626 ] [ -0.0097018 0.0021374 0.0014043 ] [ -0.0012256 0.0020471 -0.0083197 ] [ 0.0018298 -0.0055144 0.0001604 ] [ -0.0080362 0.0028802 0.0030277 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.105115042409575e-18 "source-value" -25.622113 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.467501499279442e-09 1.439050687717924e-09 3.949164777759076e-09 ] [ 7.942565331583115e-09 6.888793901092859e-09 3.167341039047575e-09 ] [ -2.744805407550474e-09 -1.655626835046509e-09 -3.979692811309461e-09 ] [ -1.795113292959329e-09 -1.088915126602207e-08 -4.401388101168953e-09 ] [ -4.516838705416532e-09 -1.123270840208515e-08 6.849597451153296e-09 ] [ 3.433000187589692e-09 1.615269800406372e-08 3.148418051414631e-10 ] [ -3.786309772743577e-09 -7.030562499384346e-10 -5.899864320840658e-09 ] ] "source-value" [ [ 0.9159424 0.8981848 2.4648748 ] [ 4.9573594 4.299647 1.9768988 ] [ -1.7131728 -1.033361 -2.4839289 ] [ -1.1204216 -6.7964737 -2.7471304 ] [ -2.819189 -7.0109052 4.2751825 ] [ 2.1427102 10.0817212 0.1965088 ] [ -2.3632287 -0.4388132 -3.6824057 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.225376041912165e-18 "source-value" -20.131214 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] "source-value" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] } "instance-id" 1 }