{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4159562 -4.2234426 -11.1490755 ] [ -5.9695207 -0.847985 -0.5348181 ] [ 8.116622 -2.9626744 9.2163225 ] [ -6.2866185 4.5754008 -2.5479401 ] [ 9.8692487 -1.8342005 -5.4846362 ] [ -1.1911784 -6.1382151 9.2418063 ] [ 0.8774031 11.4311169 1.2583412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.67731840291681e-09 -6.766700993010767e-09 -1.786278810963407e-08 ] [ -9.564226502921651e-09 -1.358621741789088e-09 -8.568730562006765e-10 ] [ 1.300426200827094e-08 -4.746727658722668e-09 1.476617643925301e-08 ] [ -1.007227318458877e-08 7.330600192549616e-09 -4.082250059418814e-09 ] [ 1.581227953200079e-08 -2.93871315895967e-09 -8.787355893233352e-09 ] [ -1.908478183681951e-09 -9.834504726661534e-09 1.480700598782215e-08 ] [ 1.405754733837445e-09 1.831466824681177e-08 2.016084851629417e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.103819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.618810258259483e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8322279 2.8775384 0.9849204 ] [ 1.3905944 2.1293983 2.8004954 ] [ 3.4939956 3.2875564 5.4099378 ] [ 1.7033593 4.2649688 3.9300308 ] [ 4.8094092 1.6708513 1.9781481 ] [ 3.3284813 1.2267998 3.9685043 ] [ 2.9157452 5.2110759 1.9333232 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8322279e-10 2.8775384e-10 9.849204e-11 ] [ 1.3905944e-10 2.1293983e-10 2.8004954e-10 ] [ 3.4939956e-10 3.2875564e-10 5.4099378e-10 ] [ 1.7033593e-10 4.2649688e-10 3.9300308e-10 ] [ 4.809409200000001e-10 1.6708513e-10 1.9781481e-10 ] [ 3.3284813e-10 1.2267998e-10 3.9685043e-10 ] [ 2.9157452e-10 5.2110759e-10 1.9333232e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -5e-07 4e-06 ] [ -2.3e-06 2e-07 5e-07 ] [ 2.7e-06 -9e-07 -1.5e-06 ] [ 2.6e-06 1e-07 -2.6e-06 ] [ -4e-06 2.8e-06 6.3e-06 ] [ 7e-07 -2.4e-06 -5.3e-06 ] [ -2.9e-06 7e-07 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 -8.010883104e-16 6.4087064832e-15 ] [ -3.68500622784e-15 3.2043532416e-16 8.010883104e-16 ] [ 4.32587687616e-15 -1.44195895872e-15 -2.4032649312e-15 ] [ 4.16565921408e-15 1.6021766208e-16 -4.16565921408e-15 ] [ -6.4087064832e-15 4.48609453824e-15 1.009371271104e-14 ] [ 1.12152363456e-15 -3.84522388992e-15 -8.491536090240001e-15 ] [ -4.646312200320001e-15 1.12152363456e-15 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.894908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.347733309136689e-18 } }