{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -31.0756136 -6.8989656 -4.5143654 ] [ 0.8668279 -0.3856043 -0.6101476 ] [ -3.973041 6.2968873 -7.7553374 ] [ -7.2578972 -6.1286842 17.5832893 ] [ 30.8264397 4.8355164 6.6049855 ] [ 10.6132842 2.2808503 -11.3084243 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.978862158693453e-08 -1.105336139202345e-08 -7.23281070162844e-09 ] [ 1.38881139563716e-09 -6.178061943399494e-10 -9.7756421995723e-10 ] [ -6.365513403679853e-09 1.008872561587244e-08 -1.242542026869586e-08 ] [ -1.162843321000978e-08 -9.819234541506352e-09 2.81715350332228e-08 ] [ 4.938940098984097e-08 7.747351325574983e-09 1.0582353348823e-08 ] [ 1.700435581514603e-08 3.654325026204666e-09 -1.811809303154661e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.4357973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.982242454677639e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.1743126 0.4937031 -0.221872 ] [ 0.2721026 0.2316995 2.0101964 ] [ 0.7311989 2.4766632 1.1455323 ] [ 1.2363476 1.9287663 3.4431272 ] [ 2.6019736 0.9286671 1.7199988 ] [ 2.7181516 2.3590866 -0.2228604 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1743126e-10 4.937031e-11 -2.21872e-11 ] [ 2.721026e-11 2.316995e-11 2.0101964e-10 ] [ 7.311989e-11 2.4766632e-10 1.1455323e-10 ] [ 1.2363476e-10 1.9287663e-10 3.4431272e-10 ] [ 2.6019736e-10 9.286671e-11 1.7199988e-10 ] [ 2.7181516e-10 2.3590866e-10 -2.228604e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 4.3e-06 2.2e-06 ] [ 9e-06 7.4e-06 -3.8e-06 ] [ 3.5e-06 -4.7e-06 9.6e-06 ] [ -7.6e-06 -2.3e-06 -6.5e-06 ] [ -1e-06 -5.7e-06 1.21e-05 ] [ -2.5e-06 9e-07 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-15 6.889359469440001e-15 3.52478856576e-15 ] [ 1.44195895872e-14 1.185610699392e-14 -6.08827115904e-15 ] [ 5.6076181728e-15 -7.53023011776e-15 1.538089555968e-14 ] [ -1.217654231808e-14 -3.68500622784e-15 -1.04141480352e-14 ] [ -1.6021766208e-15 -9.13240673856e-15 1.938633711168e-14 ] [ -4.005441552e-15 1.44195895872e-15 -2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }