{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6687012 1.2691509 1.4401889 ] [ 1.2969833 0.7886359 -0.5895547 ] [ -2.1906562 -0.5725255 -0.5897796 ] [ 1.1270558 0.1147568 0.0627846 ] [ -0.4813588 -0.5742215 -1.5396331 ] [ 2.0413527 -1.7428529 1.4867202 ] [ -1.1246756 0.7170564 -0.2707262 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.071377437767761e-09 2.03340391700007e-09 2.307437004126163e-09 ] [ 2.077996337948212e-09 1.26353401171356e-09 -9.445707648048796e-10 ] [ -3.50981817676723e-09 -9.17286978469167e-10 -9.449310943298662e-10 ] [ 1.805742467974177e-09 1.838606635526112e-10 1.005920190950364e-10 ] [ -7.712218219302791e-10 -9.200042700404311e-10 -2.466764177752985e-09 ] [ 3.270607597692811e-09 -2.792358192879138e-09 2.381988365735807e-09 ] [ -1.80192896714993e-09 1.148851009340158e-09 -4.337511918516107e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.68262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.313721049390108e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1878142 1.4340318 2.4735806 ] [ 1.2465865 1.9560724 4.605756 ] [ 2.7921366 3.4345167 5.4860183 ] [ 0.9819191 3.4375906 2.7884393 ] [ 4.1273533 2.6939613 2.4613205 ] [ 4.813144 2.7658186 4.6441753 ] [ 2.9422793 4.5313856 3.386031 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1878142e-10 1.4340318e-10 2.4735806e-10 ] [ 1.2465865e-10 1.9560724e-10 4.605756000000001e-10 ] [ 2.7921366e-10 3.4345167e-10 5.486018299999999e-10 ] [ 9.819191e-11 3.4375906e-10 2.7884393e-10 ] [ 4.1273533e-10 2.6939613e-10 2.4613205e-10 ] [ 4.813144e-10 2.7658186e-10 4.6441753e-10 ] [ 2.9422793e-10 4.5313856e-10 3.386031e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.6e-06 8e-07 -1.9e-06 ] [ -2.5e-06 2.4e-06 -6.4e-06 ] [ -5.9e-06 -4e-07 -3.3e-06 ] [ 5e-07 -4.4e-06 1.72e-05 ] [ -6e-07 -6e-07 1.2e-06 ] [ -2.3e-06 1.7e-06 -1e-06 ] [ 7.2e-06 5e-07 -5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.767835882399999e-15 1.2817413072e-15 -3.0441356046e-15 ] [ -4.005441585e-15 3.845223921599999e-15 -1.02539304576e-14 ] [ -9.452842140600001e-15 -6.408706536e-16 -5.2871828922e-15 ] [ 8.010883169999999e-16 -7.0495771896e-15 2.75574381048e-14 ] [ -9.613059803999998e-16 -9.613059803999998e-16 1.9226119608e-15 ] [ -3.685006258199999e-15 2.7237002778e-15 -1.602176634e-15 ] [ 1.15356717648e-14 8.010883169999999e-16 -9.2926244772e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629094044303e-18 } }