{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9300263 -11.9867404 -10.9167114 ] [ -4.1735076 -12.9061331 7.404928 ] [ 1.0342553 9.1456348 -4.6459126 ] [ -12.6959521 7.8898045 5.0968823 ] [ 3.0560442 -2.8557596 -0.1694119 ] [ 0.8791318 3.3205757 -5.0560033 ] [ 14.8300547 7.3926181 8.2862289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.694419636189127e-09 -1.920487522847884e-08 -1.749049978110084e-08 ] [ -6.686696303451118e-09 -2.067790471775303e-08 1.18640025203073e-08 ] [ 1.65705966159849e-09 1.465292225893488e-08 -7.443572550000142e-09 ] [ -2.034115763341666e-08 1.264086031258263e-08 8.166105660029332e-09 ] [ 4.89632256937144e-09 -4.57543126574516e-09 -2.714277854653075e-10 ] [ 1.408524416561822e-09 5.320148754136595e-09 -8.100610281947649e-09 ] [ 2.376036692552516e-08 1.184427988632292e-08 1.32760022181773e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5142962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.630523210206281e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0857747 1.2522561 3.3637004 ] [ 3.4038406 1.443139 5.308531 ] [ 3.0572777 4.5598526 3.3467547 ] [ 1.0370006 3.3562786 3.2589993 ] [ 3.6143817 1.3621896 1.5727829 ] [ 4.2787234 3.6238913 1.5612178 ] [ 4.0681573 3.7048498 5.2969336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0857747e-10 1.2522561e-10 3.3637004e-10 ] [ 3.4038406e-10 1.443139e-10 5.308531e-10 ] [ 3.0572777e-10 4.5598526e-10 3.3467547e-10 ] [ 1.0370006e-10 3.3562786e-10 3.2589993e-10 ] [ 3.6143817e-10 1.3621896e-10 1.5727829e-10 ] [ 4.2787234e-10 3.6238913e-10 1.5612178e-10 ] [ 4.068157300000001e-10 3.7048498e-10 5.2969336e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 1.3e-05 -1.79e-05 ] [ 1.71e-05 5.1e-06 -1.73e-05 ] [ -4.2e-06 -8.6e-06 3.92e-05 ] [ -1.02e-05 1.99e-05 -2.43e-05 ] [ 1.37e-05 -3.67e-05 1.12e-05 ] [ -2.52e-05 -3e-06 -3.2e-06 ] [ 1.04e-05 1.02e-05 1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 2.08282960704e-14 -2.867896151232001e-14 ] [ 2.739722021568e-14 8.17110076608e-15 -2.771765553984e-14 ] [ -6.72914180736e-15 -1.377871893888e-14 6.280532353535999e-14 ] [ -1.634220153216e-14 3.188331475392e-14 -3.893289188544e-14 ] [ 2.194981970496e-14 -5.879988198335999e-14 1.794437815296e-14 ] [ -4.037485084416e-14 -4.8065298624e-15 -5.126965186560001e-15 ] [ 1.666263685632e-14 1.634220153216e-14 1.986699009792e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.12274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.743365371203699e-18 } }