{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3590713 -1.6111783 -2.3295694 ] [ 0.0852556 0.1611539 0.0516238 ] [ 1.7487115 -0.9976632 1.3183815 ] [ -1.5996706 0.9261869 -1.0684347 ] [ 0.4849535 0.6131246 -0.5975283 ] [ -0.5123123 -1.3535935 1.8603496 ] [ 1.1521337 2.2619697 0.7651775 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.177472280800004e-09 -2.581392225467842e-09 -3.732381659961399e-09 ] [ 1.365945302376504e-10 2.581970130579726e-10 8.27104461182892e-11 ] [ 2.801744704907091e-09 -1.598432667641669e-09 2.112280033997871e-09 ] [ -2.56295485741676e-09 1.483915009896895e-09 -1.7118211112948e-09 ] [ 7.769811662765188e-10 9.823339078505963e-10 -9.573458804137422e-10 ] [ -8.208147963707983e-10 -2.168695877634278e-09 2.980608660191246e-09 ] [ 1.845921693383966e-09 3.624075000155989e-09 1.225949511362535e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.245097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40383980004635e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4998914 2.858713 1.084649 ] [ 1.3301564 1.9928863 2.8951755 ] [ 3.577186 3.5455976 4.7568172 ] [ 1.5502071 4.1442202 3.7432811 ] [ 4.5268844 2.2600605 2.0981376 ] [ 3.370279 1.3903952 3.9152484 ] [ 3.6192088 4.4763163 2.5120511 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4998914e-10 2.858713e-10 1.084649e-10 ] [ 1.3301564e-10 1.9928863e-10 2.8951755e-10 ] [ 3.577186000000001e-10 3.5455976e-10 4.756817200000001e-10 ] [ 1.5502071e-10 4.144220200000001e-10 3.7432811e-10 ] [ 4.5268844e-10 2.2600605e-10 2.0981376e-10 ] [ 3.370279e-10 1.3903952e-10 3.9152484e-10 ] [ 3.6192088e-10 4.4763163e-10 2.5120511e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 -7.5e-06 7.3e-06 ] [ 8e-07 8.2e-06 4.6e-06 ] [ -1.02e-05 -4.4e-06 -1.22e-05 ] [ -2.6e-06 -1e-06 6.1e-06 ] [ -2.4e-06 8.2e-06 1.3e-06 ] [ 2.4e-06 1.8e-06 -6e-06 ] [ 7.4e-06 -5.3e-06 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.530230179799999e-15 -1.2016324755e-14 1.16958894282e-14 ] [ 1.2817413072e-15 1.31378483988e-14 7.370012516399999e-15 ] [ -1.63422016668e-14 -7.0495771896e-15 -1.95465549348e-14 ] [ -4.165659248399999e-15 -1.602176634e-15 9.773277467399999e-15 ] [ -3.845223921599999e-15 1.31378483988e-14 2.0828296242e-15 ] [ 3.845223921599999e-15 2.8839179412e-15 -9.613059803999999e-15 ] [ 1.18561070916e-14 -8.4915361602e-15 -1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }