{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5148272 -1.6970257 -3.0614845 ] [ -7.3569489 -3.2211951 14.2867372 ] [ -1.4836849 1.7783772 0.494974 ] [ -2.7336746 -18.1191562 -1.5269766 ] [ 6.9033352 2.3209296 -12.4372013 ] [ -0.7435462 15.3034033 -3.6001027 ] [ 9.9293465 3.634667 5.8440539 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.233550646387645e-09 -2.718934923837493e-09 -4.905038931253173e-09 ] [ -1.1787131625112e-08 -5.160923522775293e-09 2.288987651793858e-08 ] [ -2.377125278998626e-09 2.849274396278344e-09 7.930357772375159e-10 ] [ -4.379829569079297e-09 -2.903008869143622e-08 -2.446486229184764e-09 ] [ 1.106036235410972e-08 3.718539174278966e-09 -1.992659331521442e-08 ] [ -1.191292347939491e-09 2.451875518793849e-08 -5.768000425940311e-09 ] [ 1.590856695318968e-08 5.823378539770877e-09 9.363206606416571e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.121394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.807554434307795e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0505566 2.3181566 1.6470061 ] [ 2.406694 2.6737034 5.1345504 ] [ 1.2407714 3.9575101 3.379723 ] [ 3.2144044 1.0385518 3.4062757 ] [ 4.0862126 3.6733997 1.3208455 ] [ 3.2784924 5.3085601 3.0491065 ] [ 4.7237006 3.2065244 3.8869098 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0505566e-10 2.3181566e-10 1.6470061e-10 ] [ 2.406694e-10 2.6737034e-10 5.1345504e-10 ] [ 1.2407714e-10 3.9575101e-10 3.379723e-10 ] [ 3.2144044e-10 1.0385518e-10 3.4062757e-10 ] [ 4.0862126e-10 3.6733997e-10 1.3208455e-10 ] [ 3.2784924e-10 5.308560100000001e-10 3.0491065e-10 ] [ 4.723700600000001e-10 3.2065244e-10 3.886909800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.26e-05 6.4e-06 8.6e-06 ] [ -8.2e-06 1.22e-05 -3.8e-06 ] [ 3.3e-06 -1.3e-05 -2.8e-06 ] [ -1.14e-05 -2.6e-06 8.1e-06 ] [ -1.17e-05 8.4e-06 -3.9e-06 ] [ 5.2e-06 -1.27e-05 1.18e-05 ] [ 2e-07 1.3e-06 -1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.62091919284e-14 1.02539304576e-14 1.37787190524e-14 ] [ -1.31378483988e-14 1.95465549348e-14 -6.088271209199999e-15 ] [ 5.2871828922e-15 -2.082829624199999e-14 -4.486094575199999e-15 ] [ -1.82648136276e-14 -4.165659248399999e-15 1.29776307354e-14 ] [ -1.87454666178e-14 1.34582837256e-14 -6.248488872599999e-15 ] [ 8.331318496799998e-15 -2.03476432518e-14 1.89056842812e-14 ] [ 3.204353268e-16 2.0828296242e-15 -2.899939707539999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.254604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.924709999172294e-18 } }