{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5512999 -5.9479793 0.2614487 ] [ -2.0492476 5.5899856 -0.9259969 ] [ 3.1042843 -2.803637 0.7333757 ] [ -3.585342 -3.9633014 -1.405961 ] [ 0.7112546 -1.5517967 -2.2224759 ] [ 1.0879991 6.7641295 -0.1216148 ] [ 3.2823515 1.9125993 3.6812242 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.087633052429379e-09 -9.52971337546235e-09 4.18886994678553e-10 ] [ -3.28325659495051e-09 8.95614423892866e-09 -1.483610584113275e-09 ] [ 4.973611729776494e-09 -4.49192165460985e-09 1.174997400802835e-09 ] [ -5.744351129972313e-09 -6.349908844263909e-09 -2.252597843956589e-09 ] [ 1.139555491556456e-09 -2.486252392974591e-09 -3.560798927271439e-09 ] [ 1.743166721471441e-09 1.083733014496359e-08 -1.948483893032678e-10 ] [ 5.258906834547811e-09 3.064321883418445e-09 5.897971349163183e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.215115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.23881846397834e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5642078 2.4040081 3.6552523 ] [ 2.6331944 4.762513 2.7592617 ] [ 6.1315175 2.920935 1.7358188 ] [ 3.5435205 2.8082311 1.239902 ] [ 4.7262929 1.265848 3.0227295 ] [ 4.8379114 5.081991 1.5729881 ] [ 4.8137285 3.7658838 3.8585195 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5642078e-10 2.4040081e-10 3.6552523e-10 ] [ 2.6331944e-10 4.762513000000001e-10 2.7592617e-10 ] [ 6.1315175e-10 2.920935e-10 1.7358188e-10 ] [ 3.5435205e-10 2.8082311e-10 1.239902e-10 ] [ 4.7262929e-10 1.265848e-10 3.0227295e-10 ] [ 4.837911400000001e-10 5.081991000000001e-10 1.5729881e-10 ] [ 4.8137285e-10 3.7658838e-10 3.8585195e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-06 -3.4e-06 -7e-07 ] [ -2.07e-05 3.2e-06 9.5e-06 ] [ 8.3e-06 -1.53e-05 1.6e-06 ] [ 4.3e-06 1.3e-06 2.5e-06 ] [ -2.5e-06 1.23e-05 -3.9e-06 ] [ 6.6e-06 2.5e-06 -4.7e-06 ] [ -1e-07 -6e-07 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.4087064832e-15 -5.44740051072e-15 -1.12152363456e-15 ] [ -3.316505605055999e-14 5.126965186560001e-15 1.52206778976e-14 ] [ 1.329806595264e-14 -2.451330229824e-14 2.56348259328e-15 ] [ 6.889359469440001e-15 2.08282960704e-15 4.005441552e-15 ] [ -4.005441552e-15 1.970677243584e-14 -6.24848882112e-15 ] [ 1.057436569728e-14 4.005441552e-15 -7.53023011776e-15 ] [ -1.6021766208e-16 -9.6130597248e-16 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.454184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917992188554143e-18 } }