{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5184756 -1.7337318 -1.3361822 ] [ 1.9904851 1.0668388 -2.3092335 ] [ 8.3185822 -18.3956801 11.184163 ] [ 5.6375924 11.8440349 -23.2352641 ] [ -9.4281841 7.2185382 15.6965168 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.044374920957525e-08 -2.777744556697502e-09 -2.14079988196911e-09 ] [ 3.18910869127075e-09 1.709264183522327e-09 -3.699799925668157e-09 ] [ 1.332783791904303e-08 -2.947312857993581e-08 1.791900448181639e-08 ] [ 9.032418740879761e-09 1.897623581271926e-08 -3.722699691913355e-08 ] [ -1.510561614161829e-08 1.156537314039172e-08 2.514859224495443e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.759936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.819728313304269e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0356589 0.2472459 0.1845728 ] [ 0.4271915 0.5384523 2.4879545 ] [ 2.7329484 0.5383165 1.8465995 ] [ 2.3068157 2.2815962 0.2631716 ] [ 1.6983515 2.5728009 2.5665537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0356589e-10 2.472459e-11 1.845728e-11 ] [ 4.271915e-11 5.384523e-11 2.4879545e-10 ] [ 2.7329484e-10 5.383165e-11 1.8465995e-10 ] [ 2.3068157e-10 2.2815962e-10 2.631716e-11 ] [ 1.6983515e-10 2.5728009e-10 2.5665537e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 2.1e-06 2.6e-06 ] [ 2.5e-06 -0.0 -2e-06 ] [ -2.2e-06 5.1e-06 -1.6e-06 ] [ 1.3e-06 -4e-06 2.9e-06 ] [ -6e-07 -3.2e-06 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 3.36457090368e-15 4.16565921408e-15 ] [ 4.005441552e-15 0.0 -3.2043532416e-15 ] [ -3.52478856576e-15 8.17110076608e-15 -2.56348259328e-15 ] [ 2.08282960704e-15 -6.4087064832e-15 4.646312200320001e-15 ] [ -9.6130597248e-16 -5.126965186560001e-15 -3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }