{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7492577 -1.6769538 1.6288895 ] [ -0.7401225 0.5928909 -0.5095199 ] [ 2.7284935 -9.3715379 8.3331755 ] [ -0.3570914 9.5963182 -8.5860217 ] [ 0.1179781 0.8592825 -0.8665234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.802619813784582e-09 -2.686776194657509e-09 2.609768696267943e-09 ] [ -1.185806975797665e-09 9.499159464912304e-10 -8.163408783380166e-10 ] [ 4.371528531720878e-09 -1.501485904802543e-08 1.335121907312126e-08 ] [ -5.721234972823476e-10 1.537499679246894e-08 -1.375632334675696e-08 ] [ 1.890217551437154e-10 1.376722343505105e-09 -1.388323544294236e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.364972046368852 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.019780948875534e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2711616 0.1442525 3.0163599 ] [ 0.4031889 2.7193435 0.5521516 ] [ 2.6002459 -0.1573439 3.0792714 ] [ 2.3115047 1.4981784 1.5310854 ] [ 2.6003715 3.1241899 -0.0442753 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.711616e-11 1.442525e-11 3.0163599e-10 ] [ 4.031889e-11 2.7193435e-10 5.521516e-11 ] [ 2.6002459e-10 -1.573439e-11 3.0792714e-10 ] [ 2.3115047e-10 1.4981784e-10 1.5310854e-10 ] [ 2.6003715e-10 3.1241899e-10 -4.42753e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.07e-05 8.1e-06 -7.2e-06 ] [ 4.33e-05 1.51e-05 -2.06e-05 ] [ 7.23e-05 1.4e-05 -3.54e-05 ] [ -7.73e-05 -5.06e-05 9.11e-05 ] [ -7.5e-06 1.34e-05 -2.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.91868226638e-14 1.29776307354e-14 -1.15356717648e-14 ] [ 6.93742482522e-14 2.41928671734e-14 -3.300483866039999e-14 ] [ 1.158373706382e-13 2.243047287599999e-14 -5.671705284359999e-14 ] [ -1.238482538082e-13 -8.107013768039999e-14 1.459582913574e-13 ] [ -1.2016324755e-14 2.14691668956e-14 -4.470072808859999e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.12115704636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.621588132873663e-18 } }