{ "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" [ [ 0.635409 0.2945373 0.4894103 ] [ 0.6913641 0.4672635 2.355287 ] [ 2.952385 0.4157679 2.192681 ] [ 2.385934 1.774442 0.4759126 ] [ 2.093707 2.943435 1.550224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.35409e-11 2.945373e-11 4.894103e-11 ] [ 6.913641e-11 4.672635e-11 2.355287e-10 ] [ 2.952385e-10 4.157679e-11 2.192681e-10 ] [ 2.385934000000001e-10 1.774442e-10 4.759126e-11 ] [ 2.093707e-10 2.943435e-10 1.550224e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.0330052 -10.3878056 -22.8303776 ] [ -17.9615322 -11.9236804 25.1728806 ] [ 22.3375207 -13.8433333 16.4501161 ] [ 17.2631355 -5.9290274 -36.2136813 ] [ -2.6061188 42.0838468 17.4210623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.049423595500483e-08 -1.664309927373532e-08 -3.657829723475602e-08 ] [ -2.877754696458639e-08 -1.910384197077119e-08 4.033140077550988e-08 ] [ 3.578865343217605e-08 -2.217946496720211e-08 2.635599142486567e-08 ] [ 2.765859209980252e-08 -9.499349084362609e-09 -5.802071353196215e-08 ] [ -4.175462612387351e-09 6.74257554562889e-08 2.791161872656027e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.468225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.318065183947408e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2628867 0.6366422 0.4363003 ] [ 0.7336604 -0.6297452 2.4655796 ] [ 2.9609837 0.3565079 2.564 ] [ 2.4899082 1.6235942 0.5351943 ] [ 2.31136 3.9084466 1.0624408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.628867e-11 6.366422000000001e-11 4.363003e-11 ] [ 7.336604e-11 -6.297452e-11 2.4655796e-10 ] [ 2.9609837e-10 3.565079e-11 2.564e-10 ] [ 2.4899082e-10 1.6235942e-10 5.351943e-11 ] [ 2.31136e-10 3.9084466e-10 1.0624408e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.76e-05 1.61e-05 1.21e-05 ] [ 3.01e-05 1.46e-05 -1.63e-05 ] [ -2.73e-05 2.2e-06 -6.9e-06 ] [ -1.53e-05 -4.14e-05 1.01e-05 ] [ -5e-06 8.4e-06 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.819830852608e-14 2.579504359488e-14 1.938633711168e-14 ] [ 4.822551628608e-14 2.339177866368e-14 -2.611547891904e-14 ] [ -4.373942174784e-14 3.52478856576e-15 -1.105501868352e-14 ] [ -2.451330229824e-14 -6.633011210111999e-14 1.618198387008e-14 ] [ -8.010883104e-15 1.345828361472e-14 1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }