{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.898352 -2.8279999 -2.7021611 ] [ 0.4401815 -0.2073934 4.3791857 ] [ -4.0731258 2.790556 -1.3815408 ] [ -0.5484282 -0.0727316 -0.7280689 ] [ 2.4411033 -0.3488998 0.9531598 ] [ 1.2755006 -0.3007397 -1.5993021 ] [ 2.3631207 0.9672085 1.0787273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.041495217507168e-09 -4.530955360734336e-09 -4.329339375723737e-09 ] [ 7.052485140190709e-10 -3.322808595258156e-10 7.016229004486933e-09 ] [ -6.525866984102556e-09 4.470963619068503e-09 -2.213472388677667e-09 ] [ -8.786788474666788e-10 -1.165288700734344e-10 -1.166494979522083e-09 ] [ 3.911078668440292e-09 -5.58999107167273e-10 1.527130360028113e-09 ] [ 2.04357725797298e-09 -4.818381202561697e-10 -2.562364455327131e-09 ] [ 3.786136768861724e-09 1.549638858906189e-09 1.728311674517908e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.445064 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.275660382143457e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.652682 2.1445901 2.6954054 ] [ 2.7107372 2.7930113 4.6590762 ] [ 1.90937 4.3795554 2.1166315 ] [ 3.7518047 1.6622506 1.7327694 ] [ 4.7963503 2.3138206 3.7026168 ] [ 3.9950098 3.9003316 1.1602577 ] [ 3.901635 4.5641524 3.496418 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.652682e-10 2.1445901e-10 2.6954054e-10 ] [ 2.7107372e-10 2.7930113e-10 4.6590762e-10 ] [ 1.90937e-10 4.3795554e-10 2.1166315e-10 ] [ 3.7518047e-10 1.6622506e-10 1.7327694e-10 ] [ 4.7963503e-10 2.3138206e-10 3.7026168e-10 ] [ 3.9950098e-10 3.9003316e-10 1.1602577e-10 ] [ 3.901635000000001e-10 4.564152400000001e-10 3.496418e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.84e-05 -3.49e-05 -1.55e-05 ] [ -9.4e-06 8.7e-06 2.29e-05 ] [ -2.31e-05 2.97e-05 2.93e-05 ] [ 1.6e-05 -6.62e-05 -4.48e-05 ] [ 3.78e-05 1.25e-05 1.95e-05 ] [ 3.57e-05 1.27e-05 -1.37e-05 ] [ 1.14e-05 3.75e-05 2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.095888817656e-13 -5.59159645266e-14 -2.4833737827e-14 ] [ -1.50604603596e-14 1.39389367158e-14 3.66898449186e-14 ] [ -3.70102802454e-14 4.75846460298e-14 4.69437753762e-14 ] [ 2.5634826144e-14 -1.060640931708e-13 -7.177751320319999e-14 ] [ 6.056227676519999e-14 2.0027207925e-14 3.1242444363e-14 ] [ 5.719770583379999e-14 2.03476432518e-14 -2.19498198858e-14 ] [ 1.82648136276e-14 6.008162377499999e-14 3.5247885948e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }