{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.1816266 18.0856039 1.4075533 ] [ 3.8230047 -1.9006645 -3.1939054 ] [ -3.7309165 -15.4831196 2.7186024 ] [ 0.7761356 -3.1696848 2.9664968 ] [ 6.7753396 5.1927496 -17.9450958 ] [ 17.566504 6.8471321 -2.5345036 ] [ -6.0284409 -9.5720166 16.5808523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.073235368743539e-08 2.89763317416293e-08 2.255148989789889e-09 ] [ 6.125128751548518e-09 -3.045200225884522e-09 -5.117200560926872e-09 ] [ -5.977587190456963e-09 -2.480669224017025e-08 4.35568120653077e-09 ] [ 1.243506312890581e-09 -5.078394881865125e-09 4.752851818638013e-09 ] [ 1.085529070510042e-08 8.319702006788553e-09 -2.875121294877628e-08 ] [ 2.814464201798968e-08 1.097031497014921e-08 -4.060722413253435e-09 ] [ -9.65862706985451e-09 -1.533606121042951e-08 2.656545390799791e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.036047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.928387311024998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5592135 5.4841137 2.9813782 ] [ 6.1124506 2.828925 1.0101589 ] [ 2.9365799 2.8189552 2.4767345 ] [ 5.4027157 2.5991441 3.4466951 ] [ 4.2694301 4.5885997 1.0060444 ] [ 5.2584558 5.2535898 3.3831 ] [ 3.4696944 3.8859825 4.9420439 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5592135e-10 5.4841137e-10 2.9813782e-10 ] [ 6.112450600000001e-10 2.828925e-10 1.0101589e-10 ] [ 2.9365799e-10 2.8189552e-10 2.4767345e-10 ] [ 5.4027157e-10 2.5991441e-10 3.4466951e-10 ] [ 4.2694301e-10 4.5885997e-10 1.0060444e-10 ] [ 5.258455800000001e-10 5.2535898e-10 3.3831e-10 ] [ 3.4696944e-10 3.8859825e-10 4.9420439e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.03e-05 2.34e-05 -9.4e-06 ] [ 1.56e-05 1.89e-05 3.73e-05 ] [ 2.38e-05 3.05e-05 6.43e-05 ] [ 4.3e-06 3.07e-05 -4.29e-05 ] [ -6.56e-05 -4.14e-05 1.65e-05 ] [ -9.3e-06 -3.6e-05 2.48e-05 ] [ -1.91e-05 -2.61e-05 -9.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.058948402624e-14 3.749093292672001e-14 -1.506046023552e-14 ] [ 2.499395528448e-14 3.028113813312e-14 5.976118795584e-14 ] [ 3.813180357504e-14 4.88663869344e-14 1.0301995671744e-13 ] [ 6.889359469440001e-15 4.918682225856e-14 -6.873337703232e-14 ] [ -1.0510278632448e-13 -6.633011210111999e-14 2.64359142432e-14 ] [ -1.490024257344e-14 -5.76783583488e-14 3.973398019584e-14 ] [ -3.060157345728e-14 -4.181680980288e-14 -1.449969841824e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.564128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.775389497113867e-18 } }