{ "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" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2585518 -1.9515987 0.1533104 ] [ 0.828622 0.5185188 -0.6605375 ] [ 9.2916091 0.2462692 0.2223957 ] [ -0.6769507 0.1351705 0.600441 ] [ -0.1847286 1.0516401 -0.3156096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.483383535863864e-08 -3.126805836084775e-09 2.456303406291936e-10 ] [ 1.327598806818348e-09 8.30758705649719e-10 -1.058297748380775e-09 ] [ 1.488679899228177e-08 3.945667579138728e-10 3.563171940420738e-10 ] [ -1.084594593909944e-09 2.16567016706097e-10 9.62012540295594e-10 ] [ -2.959678465515324e-10 1.684913195597423e-09 -5.056623265860864e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.370521 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821758306260631e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7367314 0.2462001 1.7610738 ] [ 0.4180829 2.5774497 1.2874338 ] [ 2.9811145 0.6992172 2.4808795 ] [ 2.254008 1.3941252 0.3091823 ] [ 2.6624657 3.0304669 2.007239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.367314e-11 2.462001e-11 1.7610738e-10 ] [ 4.180829e-11 2.5774497e-10 1.2874338e-10 ] [ 2.9811145e-10 6.992172e-11 2.4808795e-10 ] [ 2.254008e-10 1.3941252e-10 3.091823e-11 ] [ 2.6624657e-10 3.0304669e-10 2.007239e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -3.6e-06 6e-07 ] [ 3e-06 -8e-07 -8e-07 ] [ -2.9e-06 -0.0 -1.3e-06 ] [ -2e-06 9e-07 1.1e-06 ] [ 1.8e-06 3.6e-06 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 -5.767835882399999e-15 9.613059803999998e-16 ] [ 4.806529901999999e-15 -1.2817413072e-15 -1.2817413072e-15 ] [ -4.6463122386e-15 0.0 -2.0828296242e-15 ] [ -3.204353268e-15 1.4419589706e-15 1.7623942974e-15 ] [ 2.8839179412e-15 5.767835882399999e-15 6.408706536e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }