{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.730301 0.6989627 -0.8412664 ] [ 0.3450816 -0.7687598 -2.6134942 ] [ -2.9433259 -0.9069703 1.3574405 ] [ 1.9141802 2.3682671 0.9103198 ] [ -0.8629664 -1.9364247 -2.3542923 ] [ -1.0116242 0.4016194 -0.8676549 ] [ 1.8283537 0.1433057 4.4089476 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.170071197986834e-09 1.119861705977552e-09 -1.347857369049297e-09 ] [ 5.528816763433344e-10 -1.231688988718513e-09 -4.187279340334522e-09 ] [ -4.71572798322702e-09 -1.45312662239197e-09 2.174859451145277e-09 ] [ 3.066854789705446e-09 3.794382210690941e-09 1.458493113027553e-09 ] [ -1.382624602007097e-09 -3.10249440784046e-09 -3.771992112666118e-09 ] [ -1.620800655628943e-09 6.434652184410996e-10 -1.390136407155606e-09 ] [ 2.929345576827446e-09 2.296010440590138e-10 7.063912825250379e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.355767005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.94091809957857e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2405896 1.896408 3.6594256 ] [ 1.9984976 3.687476 0.7589499 ] [ 1.2653596 3.8888744 2.9578443 ] [ 3.0559357 5.2150826 3.6273295 ] [ 3.495895 2.0494961 1.6358395 ] [ 4.0883296 4.4608868 1.6125154 ] [ 4.264236 3.1594731 3.7200577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2405896e-10 1.896408e-10 3.6594256e-10 ] [ 1.9984976e-10 3.687476000000001e-10 7.589499e-11 ] [ 1.2653596e-10 3.8888744e-10 2.9578443e-10 ] [ 3.0559357e-10 5.2150826e-10 3.6273295e-10 ] [ 3.495895e-10 2.0494961e-10 1.6358395e-10 ] [ 4.0883296e-10 4.4608868e-10 1.6125154e-10 ] [ 4.264236000000001e-10 3.1594731e-10 3.7200577e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.61e-05 3.67e-05 -2.55e-05 ] [ 1.23e-05 7.9e-06 -1.66e-05 ] [ 4.62e-05 -4.3e-05 3.4e-06 ] [ 3.8e-06 2.35e-05 1.9e-06 ] [ -3.65e-05 -9.3e-06 3.4e-05 ] [ -2.36e-05 1.86e-05 -5.3e-06 ] [ -3.84e-05 -3.45e-05 8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.783857648740001e-14 5.879988246779999e-14 -4.0855504167e-14 ] [ 1.97067725982e-14 1.26571954086e-14 -2.65961321244e-14 ] [ 7.40205604908e-14 -6.889359526199999e-14 5.4474005556e-15 ] [ 6.088271209199999e-15 3.765115089899999e-14 3.0441356046e-15 ] [ -5.847944714099999e-14 -1.49002426962e-14 5.447400555599999e-14 ] [ -3.78113685624e-14 2.98004853924e-14 -8.4915361602e-15 ] [ -6.152358274559999e-14 -5.527509387299999e-14 1.29776307354e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.557919005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.293741747470206e-18 } }