{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.168602 2.899229 0.5975584 ] [ 0.7739719 1.842833 2.752412 ] [ 2.388452 0.0142662 1.508476 ] [ 2.727965 2.303143 1.489473 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.168602e-10 2.899229e-10 5.975584000000001e-11 ] [ 7.739719e-11 1.842833e-10 2.752412e-10 ] [ 2.388452e-10 1.42662e-12 1.508476e-10 ] [ 2.727965000000001e-10 2.303143e-10 1.489473e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1573604 2.7737273 -3.7862791 ] [ -0.8359695 -0.6465647 1.1685949 ] [ 0.1518846 -0.0730297 0.2171474 ] [ 5.8414453 -2.054133 2.4005368 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.263002257919736e-09 4.444001032534708e-09 -6.066287853843665e-09 ] [ -1.339370788601866e-09 -1.035910846174566e-09 1.872295427966114e-09 ] [ 2.433459551795597e-10 -1.170064779640378e-10 3.479084875475059e-10 ] [ 9.359027091342043e-09 -3.291083868613767e-09 3.846083938330045e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.413248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.67297938819236e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1198544 3.2016446 1.0658219 ] [ 0.3122984 1.364812 2.2813642 ] [ 2.4096395 0.3280884 2.108133 ] [ 3.2171986 2.1649263 0.8926003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1198544e-10 3.2016446e-10 1.0658219e-10 ] [ 3.122984e-11 1.364812e-10 2.2813642e-10 ] [ 2.4096395e-10 3.280884e-11 2.108133e-10 ] [ 3.217198600000001e-10 2.1649263e-10 8.926003e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 2.9e-06 1.8e-06 ] [ 2e-07 -1.4e-06 -2.3e-06 ] [ 9e-07 7e-07 2.3e-06 ] [ -3e-07 -2.2e-06 -1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 4.646312200320001e-15 2.88391791744e-15 ] [ 3.2043532416e-16 -2.24304726912e-15 -3.68500622784e-15 ] [ 1.44195895872e-15 1.12152363456e-15 3.68500622784e-15 ] [ -4.8065298624e-16 -3.52478856576e-15 -2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.4643956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.195928011872239e-18 } }