{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.5916155 -16.4074522 6.7491824 ] [ -2.9900092 3.0715387 1.1993159 ] [ 22.1090641 -14.2292135 -20.6613233 ] [ 13.5285985 0.5567368 25.3115799 ] [ -14.0560379 27.0083903 -12.5987549 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.97870516970029e-08 -2.628763632173353e-08 1.081338225079483e-08 ] [ -4.790522836216911e-09 4.921147495022425e-09 1.921515895933711e-09 ] [ 3.542262560878859e-08 -2.279771320207174e-08 -3.310308914605031e-08 ] [ 2.167520422888995e-08 8.919906848990055e-10 4.05536215512912e-08 ] [ -2.252025530445873e-08 4.32722115041015e-08 -2.018543055196944e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.193712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.434301014956841e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5562788 0.5000034 2.7471328 ] [ -0.1524657 2.1478213 1.4015644 ] [ 3.1456489 1.1286084 0.2846241 ] [ 2.5947012 -0.1297851 2.056933 ] [ 1.4478256 2.5362793 -0.1203903 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.562788e-11 5.000034e-11 2.7471328e-10 ] [ -1.524657e-11 2.1478213e-10 1.4015644e-10 ] [ 3.1456489e-10 1.1286084e-10 2.846241e-11 ] [ 2.5947012e-10 -1.297851e-11 2.056933e-10 ] [ 1.4478256e-10 2.5362793e-10 -1.203903e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 5.3e-06 4.1e-06 ] [ -1e-05 3.1e-06 -4.3e-06 ] [ 7.9e-06 5.4e-06 -4.8e-06 ] [ -1.5e-06 -6.8e-06 -2.8e-06 ] [ 1.1e-06 -7e-06 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-15 8.491536090240001e-15 6.568924145279999e-15 ] [ -1.6021766208e-14 4.96674752448e-15 -6.889359469440001e-15 ] [ 1.265719530432e-14 8.65175375232e-15 -7.69044777984e-15 ] [ -2.4032649312e-15 -1.089480102144e-14 -4.48609453824e-15 ] [ 1.76239428288e-15 -1.12152363456e-14 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.9680601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.436841622614931e-18 } }