{ "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" [ [ -0.9426633 -0.7279831 -1.9445089 ] [ -4.0079889 -4.9100791 2.1975328 ] [ -0.3266102 0.2527908 0.2241708 ] [ -0.439489 -0.0403015 -0.404428 ] [ 0.5666157 -0.3011437 -0.0179279 ] [ -0.078678 0.4473763 -0.2781957 ] [ 5.2288138 5.2793404 0.2233568 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.510313100546177e-09 -1.166357503157509e-09 -3.115446698517525e-09 ] [ -6.42150611200591e-09 -7.866813940298706e-09 3.520835675601162e-09 ] [ -5.232872265548122e-10 4.050155097133286e-10 3.591612148260327e-10 ] [ -7.041390008987713e-10 -6.457012108317119e-11 -6.479650863969025e-10 ] [ 9.078184275182267e-10 -4.824853956412089e-10 -2.872366224004032e-11 ] [ -1.260560521713024e-10 7.167758485600071e-10 -4.457186465470905e-10 ] [ 8.377483224876408e-09 8.45843576212492e-09 3.578570430567014e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.393841085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.024406270441469e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8707227 2.1139542 2.6181227 ] [ 2.8373139 1.2994168 4.6017768 ] [ 3.2076423 4.259772 2.9524465 ] [ 1.7283017 3.4134597 4.5735463 ] [ 4.3922659 2.0016091 2.9825963 ] [ 3.4200224 2.9059874 1.0656555 ] [ 4.0888871 3.3082579 4.9147755 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8707227e-10 2.1139542e-10 2.6181227e-10 ] [ 2.8373139e-10 1.2994168e-10 4.6017768e-10 ] [ 3.2076423e-10 4.259772e-10 2.9524465e-10 ] [ 1.7283017e-10 3.413459700000001e-10 4.5735463e-10 ] [ 4.3922659e-10 2.0016091e-10 2.9825963e-10 ] [ 3.4200224e-10 2.9059874e-10 1.0656555e-10 ] [ 4.0888871e-10 3.3082579e-10 4.9147755e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.61e-05 7.1e-06 1.3e-06 ] [ 1.31e-05 1.75e-05 2.7e-06 ] [ 4.6e-06 4.62e-05 1.06e-05 ] [ 1.75e-05 -3.92e-05 8.1e-06 ] [ 1.77e-05 -5.27e-05 2.08e-05 ] [ 1.65e-05 7.6e-06 7.7e-06 ] [ -3.33e-05 1.36e-05 -5.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.783857601088001e-14 1.137545400768e-14 2.08282960704e-15 ] [ 2.098851373248e-14 2.8038090864e-14 4.32587687616e-15 ] [ 7.370012455680001e-15 7.402055988096e-14 1.698307218048e-14 ] [ 2.8038090864e-14 -6.280532353535999e-14 1.297763062848e-14 ] [ 2.835852618816e-14 -8.443470791616e-14 3.332527371264e-14 ] [ 2.64359142432e-14 1.217654231808e-14 1.233675998016e-14 ] [ -5.335248147264001e-14 2.178960204288e-14 -8.203144298496001e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }