{ "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" [ [ -11.4677047 -7.696672 -0.9827593 ] [ 0.5568545 -1.0006945 0.076728 ] [ 16.3715307 -16.9157594 -17.9026121 ] [ 12.264064 2.8741369 27.7193425 ] [ -17.7247446 22.7389889 -8.9106991 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.837328836457828e-08 -1.233142793636598e-08 -1.574553974333774e-09 ] [ 8.921792610872736e-10 -1.603289332463146e-09 1.229318077607424e-10 ] [ 2.623008373424946e-08 -2.710203423375783e-08 -2.868314655787119e-08 ] [ 1.964919661679493e-08 4.604874946158588e-09 4.441128249744782e-08 ] [ -2.839817140777105e-08 3.643187639621071e-08 -1.42765137730036e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.558953124591099 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.371295459474297e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5894448 0.1195543 1.3008715 ] [ 0.3209136 2.2551149 2.2142823 ] [ 2.7159042 0.2180939 0.3336467 ] [ 2.4923951 1.3973206 2.3402584 ] [ 1.473331 2.1928438 0.1808053 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.894448000000001e-11 1.195543e-11 1.3008715e-10 ] [ 3.209136000000001e-11 2.2551149e-10 2.2142823e-10 ] [ 2.715904200000001e-10 2.180939e-11 3.336467e-11 ] [ 2.4923951e-10 1.3973206e-10 2.3402584e-10 ] [ 1.473331e-10 2.1928438e-10 1.808053e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.65e-05 1.1e-06 -2.19e-05 ] [ 2.31e-05 -4.94e-05 4e-07 ] [ -7.1e-05 2.45e-05 6.8e-05 ] [ -1.23e-05 3.03e-05 -7.39e-05 ] [ 4.38e-05 -6.6e-06 2.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.64359142432e-14 1.76239428288e-15 -3.508766799552e-14 ] [ 3.701027994048e-14 -7.914752506752001e-14 6.408706483200001e-16 ] [ -1.137545400768e-13 3.92533272096e-14 1.089480102144e-13 ] [ -1.970677243584e-14 4.854595161024e-14 -1.1840085227712e-13 ] [ 7.017533599104001e-14 -1.057436569728e-14 4.389963940992e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }