{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -37.7206242 18.9874771 -43.1971854 ] [ 6.0207438 -11.2153622 49.2306678 ] [ 21.6081133 -11.7088853 -10.659573 ] [ -36.0793621 38.0485258 -39.3497539 ] [ 46.1711291 -34.1117554 43.9758445 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.043510271313494e-08 3.042129214823008e-08 -6.920952110244594e-08 ] [ 9.646295035660367e-09 -1.796899125868683e-08 7.887622562537618e-08 ] [ 3.462001423408463e-08 -1.875970243784608e-08 -1.707851878901728e-08 ] [ -5.780551092624516e-08 6.096045899490615e-08 -6.304525625223037e-08 ] [ 7.397430420941745e-08 -5.465305744660332e-08 7.045707051831742e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.734191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.802636624709309e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3565977 1.1985502 1.0189965 ] [ 0.6001245 -0.0217269 2.8879118 ] [ 1.8069187 0.0476064 0.7376848 ] [ 1.6792657 2.5091767 0.8325813 ] [ 2.6359989 1.288878 2.7014771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.565977000000001e-11 1.1985502e-10 1.0189965e-10 ] [ 6.001245e-11 -2.17269e-12 2.8879118e-10 ] [ 1.8069187e-10 4.76064e-12 7.376848000000001e-11 ] [ 1.6792657e-10 2.5091767e-10 8.325813e-11 ] [ 2.6359989e-10 1.288878e-10 2.7014771e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.02e-05 5e-06 1.34e-05 ] [ 1e-07 -2.6e-06 -2.45e-05 ] [ -1.5e-06 -8.6e-06 -4e-07 ] [ 7.4e-06 -1.49e-05 3.7e-06 ] [ 4.2e-06 2.11e-05 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.63422016668e-14 8.010883169999999e-15 2.14691668956e-14 ] [ 1.602176634e-16 -4.165659248399999e-15 -3.925332753299999e-14 ] [ -2.403264951e-15 -1.37787190524e-14 -6.408706536e-16 ] [ 1.18561070916e-14 -2.38724318466e-14 5.9280535458e-15 ] [ 6.729141862799999e-15 3.38059269774e-14 1.23367600818e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786281540152e-18 } }