{ "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" [ [ 0.0068904 0.1581444 0.9739303 ] [ 1.486449 0.0094288 0.6635661 ] [ 1.283407 0.7092398 2.988588 ] [ 0.3149749 1.776241 2.685574 ] [ 2.9726 1.648627 0.444947 ] [ 2.196005 2.727691 2.654363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.8904e-13 1.581444e-11 9.739303e-11 ] [ 1.486449e-10 9.4288e-13 6.635661000000001e-11 ] [ 1.283407e-10 7.092398e-11 2.988588e-10 ] [ 3.149749e-11 1.776241e-10 2.685574e-10 ] [ 2.9726e-10 1.648627e-10 4.44947e-11 ] [ 2.196005e-10 2.727691e-10 2.654363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -50.9318551 6.1831201 10.6004192 ] [ 55.5187735 -15.40046 -19.4126657 ] [ 40.6270983 -48.3899467 13.4909545 ] [ -51.3991847 51.434507 -3.8578706 ] [ 0.2519107 2.2954789 1.2425467 ] [ 5.9332573 3.8773007 -2.0633841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.160182816749373e-08 9.906450549435742e-09 1.698374395284497e-08 ] [ 8.89508816500384e-08 -2.467425716485164e-08 -3.110251938819325e-08 ] [ 6.509178760348111e-08 -7.75292419232454e-08 2.161489207025716e-08 ] [ -8.23505727329903e-08 8.240716529670944e-08 -6.18099013231556e-09 ] [ 4.036054373945837e-10 3.677762657420022e-09 1.990779289393808e-09 ] [ 9.506126209569927e-09 6.212120584531843e-09 -3.305905791987119e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 14.216888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.277796576179499e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3321472 0.2306872 1.2497407 ] [ 1.9168998 -0.2334606 0.5394732 ] [ 1.5147598 0.3670562 2.858972 ] [ -0.108468 2.1919599 2.6262888 ] [ 3.0217231 1.8072826 0.562101 ] [ 2.2475588 2.6658466 2.5743927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.321472e-11 2.306872e-11 1.2497407e-10 ] [ 1.9168998e-10 -2.334606e-11 5.394732e-11 ] [ 1.5147598e-10 3.670562e-11 2.858972e-10 ] [ -1.08468e-11 2.1919599e-10 2.6262888e-10 ] [ 3.0217231e-10 1.8072826e-10 5.62101e-11 ] [ 2.2475588e-10 2.6658466e-10 2.5743927e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.1e-06 -4.6e-06 1.7e-06 ] [ 9e-07 -4.4e-06 -2.4e-06 ] [ -4.8e-06 7.1e-06 -3.9e-06 ] [ -4.5e-06 4.4e-06 5e-06 ] [ 3.3e-06 2.9e-06 -2.3e-06 ] [ 2e-06 -5.3e-06 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.9667475654e-15 -7.370012516399999e-15 2.7237002778e-15 ] [ 1.4419589706e-15 -7.0495771896e-15 -3.845223921599999e-15 ] [ -7.690447843199998e-15 1.13754541014e-14 -6.248488872599999e-15 ] [ -7.209794853e-15 7.0495771896e-15 8.010883169999999e-15 ] [ 5.2871828922e-15 4.6463122386e-15 -3.685006258199999e-15 ] [ 3.204353268e-15 -8.4915361602e-15 3.0441356046e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.34272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.938827738800448e-18 } }