{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5353879 0.9970923 2.660459 ] [ 0.8434423 2.30713 1.528251 ] [ 1.912844 1.041012 0.0827139 ] [ 2.263312 0.2132627 1.656325 ] [ 2.91731 1.870919 1.650254 ] [ 2.184429 2.813613 2.907386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.353879e-11 9.970923e-11 2.660459e-10 ] [ 8.434423e-11 2.30713e-10 1.528251e-10 ] [ 1.912844e-10 1.041012e-10 8.27139e-12 ] [ 2.263312e-10 2.132627e-11 1.656325e-10 ] [ 2.91731e-10 1.870919e-10 1.650254e-10 ] [ 2.184429e-10 2.813613e-10 2.907386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 30.8755748 -201.7578472 84.0029006 ] [ -37.2263152 209.3189289 -149.9749728 ] [ -56.0015862 147.1887279 -97.5480704 ] [ -46.9033883 -232.2621986 226.5535158 ] [ 227.3305689 -32.7725426 -180.3257791 ] [ -118.074854 110.2849317 117.2924059 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.946812409832164e-08 -3.232517058467787e-07 1.345874834207063e-07 ] [ -5.964313189197168e-08 3.353658941744775e-07 -2.402863951252759e-07 ] [ -8.972443213735592e-08 2.358223386866727e-07 -1.562892377990325e-07 ] [ -7.514751217056427e-08 -3.721250644925265e-07 3.629787463748034e-07 ] [ 3.642237226847436e-07 -5.250740155789204e-08 -2.889137474015653e-07 ] [ -1.891767705831734e-07 1.766959391962648e-07 1.87923150530364e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 200.87348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.218347933947364e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4067188 0.7887747 3.2639883 ] [ 0.0554321 2.7020134 1.091816 ] [ 1.9213601 1.3339965 -0.4148767 ] [ 2.2726723 -0.5792226 1.7573053 ] [ 3.9332422 1.8147413 1.6402213 ] [ 2.0672997 3.1827257 3.1469347 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.067188e-11 7.887747e-11 3.2639883e-10 ] [ 5.54321e-12 2.7020134e-10 1.091816e-10 ] [ 1.9213601e-10 1.3339965e-10 -4.148767e-11 ] [ 2.2726723e-10 -5.792226e-11 1.7573053e-10 ] [ 3.9332422e-10 1.8147413e-10 1.6402213e-10 ] [ 2.0672997e-10 3.182725700000001e-10 3.1469347e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 2e-07 1.85e-05 ] [ -3.55e-05 5.6e-06 -7e-06 ] [ 1.26e-05 7e-06 -1.67e-05 ] [ 9.5e-06 2.2e-06 -6e-06 ] [ -8.2e-06 -1.36e-05 2.3e-05 ] [ 1.88e-05 -1.4e-06 -1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 3.2043532416e-16 2.96402674848e-14 ] [ -5.68772700384e-14 8.972189076479999e-15 -1.12152363456e-14 ] [ 2.018742542208e-14 1.12152363456e-14 -2.675634956736e-14 ] [ 1.52206778976e-14 3.52478856576e-15 -9.6130597248e-15 ] [ -1.313784829056e-14 -2.178960204288e-14 3.68500622784e-14 ] [ 3.012092047104e-14 -2.24304726912e-15 -1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.010417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.565151580665888e-18 } }