{ "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" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 28.703834 -79.1625606 -43.7561483 ] [ -81.7429481 180.2167408 -51.3737042 ] [ -17.8889066 10.1004176 32.8910118 ] [ -7.9191371 -113.2072463 25.0646729 ] [ 78.8471579 2.0526485 37.1741678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.598861176212415e-08 -1.268324038359832e-07 -7.010507782251766e-08 ] [ -1.309666403610878e-07 2.887390487865335e-07 -8.230974779313477e-08 ] [ -2.866118792619481e-08 1.618265293903685e-08 5.269721014041693e-08 ] [ -1.268785631852991e-08 -1.813780033270073e-07 4.015803292837934e-08 ] [ 1.26327073003906e-07 3.288705437420189e-09 5.955958254685617e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 48.863068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.828726517016062e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2355476 1.3748242 2.3373536 ] [ 2.6232673 4.6487345 0.7464872 ] [ 2.5460107 3.987568 3.5784598 ] [ 4.219192 2.2420689 0.3941096 ] [ 5.2889783 3.3209024 2.8750052 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2355476e-10 1.3748242e-10 2.3373536e-10 ] [ 2.6232673e-10 4.6487345e-10 7.464872e-11 ] [ 2.5460107e-10 3.987568e-10 3.5784598e-10 ] [ 4.219192e-10 2.2420689e-10 3.941096e-11 ] [ 5.288978300000001e-10 3.3209024e-10 2.8750052e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 -7e-06 8.9e-06 ] [ 1.16e-05 -1.35e-05 4.8e-06 ] [ -3.8e-06 4.2e-06 -3.5e-06 ] [ 7e-07 1.74e-05 -5.2e-06 ] [ -7e-07 -1.1e-06 -5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.249697764224e-14 -1.12152363456e-14 1.425937192512e-14 ] [ 1.858524880128e-14 -2.16293843808e-14 7.69044777984e-15 ] [ -6.08827115904e-15 6.72914180736e-15 -5.6076181728e-15 ] [ 1.12152363456e-15 2.787787320192e-14 -8.33131842816e-15 ] [ -1.12152363456e-15 -1.76239428288e-15 -8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.147671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.946271447337016e-18 } }