{ "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" [ [ 2.302316 2.639916 2.839286 ] [ 2.238062 3.048613 5.055223 ] [ 2.960065 4.797857 2.877262 ] [ 0.8426098 4.264099 3.709155 ] [ 4.78415 2.692863 2.00084 ] [ 4.277135 2.539995 4.347514 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.302316e-10 2.639916e-10 2.839286e-10 ] [ 2.238062e-10 3.048613e-10 5.055223e-10 ] [ 2.960065e-10 4.797856999999999e-10 2.877262e-10 ] [ 8.426098e-11 4.264099e-10 3.709155e-10 ] [ 4.78415e-10 2.692863e-10 2.00084e-10 ] [ 4.277135e-10 2.539995e-10 4.347514000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2734395 -6.0232652 -6.0339551 ] [ -3.0770097 -3.1690334 11.0780857 ] [ 4.4238487 7.0130105 -5.2854424 ] [ -5.0578918 2.8531121 0.1327435 ] [ -0.6519093 0.6108587 -0.3312922 ] [ 4.0895225 -1.2846828 0.4398605 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.380983741032416e-10 -9.650334684318237e-09 -9.667461792176926e-09 ] [ -4.929913003314823e-09 -5.077351224014335e-09 1.77490499117588e-08 ] [ 7.087786961096473e-09 1.123608146452492e-08 -8.468212243865042e-09 ] [ -8.10363599249603e-09 4.571189503141592e-09 2.126785322631648e-10 ] [ -1.044473839342094e-09 9.78703527752281e-10 -5.307886174933977e-10 ] [ 6.552137339735568e-09 -2.058288747303882e-09 7.047342095133984e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4775784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.518475453427907e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3092126 2.4229723 2.8090876 ] [ 2.0967731 2.802495 5.3996555 ] [ 2.7931966 4.8605824 1.95819 ] [ 1.1613951 4.545887 3.8463722 ] [ 4.7370864 3.311686 2.3445157 ] [ 4.306674 2.0397202 4.4714589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3092126e-10 2.4229723e-10 2.8090876e-10 ] [ 2.0967731e-10 2.802495e-10 5.3996555e-10 ] [ 2.7931966e-10 4.8605824e-10 1.95819e-10 ] [ 1.1613951e-10 4.545887e-10 3.8463722e-10 ] [ 4.737086400000001e-10 3.311686e-10 2.3445157e-10 ] [ 4.306674e-10 2.0397202e-10 4.4714589e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 3e-07 9e-07 ] [ -1e-07 3e-07 2e-06 ] [ -5e-06 1.8e-06 2.7e-06 ] [ -1e-07 1.6e-06 -4.6e-06 ] [ 3.1e-06 -2.7e-06 1.4e-06 ] [ 1.4e-06 -1.4e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-15 4.8065298624e-16 1.44195895872e-15 ] [ -1.6021766208e-16 4.8065298624e-16 3.2043532416e-15 ] [ -8.010883104e-15 2.88391791744e-15 4.32587687616e-15 ] [ -1.6021766208e-16 2.56348259328e-15 -7.370012455680001e-15 ] [ 4.96674752448e-15 -4.32587687616e-15 2.24304726912e-15 ] [ 2.24304726912e-15 -2.24304726912e-15 -4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.586116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.176735742267681e-18 } }