{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.4901167 -6.9597852 -4.986731 ] [ -1.6677175 -0.6724607 -0.7718549 ] [ 18.438953 -27.562136 14.8203177 ] [ 8.8121026 20.479773 -31.351636 ] [ -12.0932214 14.7146089 22.2899042 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.161354958860365e-08 -1.115080513322985e-08 -7.989623822418605e-09 ] [ -2.671977988599024e-09 -1.077400811946803e-09 -1.236647875429922e-09 ] [ 2.954245940863002e-08 -4.415940991851003e-08 2.374476653176843e-08 ] [ 1.411854476581089e-08 3.281221349989109e-08 -5.023085822303163e-08 ] [ -1.937547659723825e-08 2.357540236379561e-08 3.571236338911172e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.6455105 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.385163479798092e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0124878 0.1629836 0.3620142 ] [ 0.1456053 0.7229653 2.5385035 ] [ 3.3148568 0.2106839 1.4413475 ] [ 2.3349532 2.3221366 0.4167998 ] [ 1.3930628 2.7596425 2.5901872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0124878e-10 1.629836e-11 3.620142e-11 ] [ 1.456053e-11 7.229653000000001e-11 2.5385035e-10 ] [ 3.3148568e-10 2.106839e-11 1.4413475e-10 ] [ 2.3349532e-10 2.3221366e-10 4.167998e-11 ] [ 1.3930628e-10 2.7596425e-10 2.5901872e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.61e-05 -1.04e-05 -1.68e-05 ] [ 3.6e-05 2.75e-05 8.7e-06 ] [ -8.6e-06 -1.3e-06 2.05e-05 ] [ 7e-06 2.15e-05 -6.6e-06 ] [ -1.82e-05 -3.73e-05 -5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.579504359488e-14 -1.666263685632e-14 -2.691656722944e-14 ] [ 5.76783583488e-14 4.4059857072e-14 1.393893660096e-14 ] [ -1.377871893888e-14 -2.08282960704e-15 3.28446207264e-14 ] [ 1.12152363456e-14 3.44467973472e-14 -1.057436569728e-14 ] [ -2.915961449856e-14 -5.976118795584e-14 -9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.013682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764586380932578e-18 } }