{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.7828407 -2.5869441 -1.23151 ] [ 1.308722 0.3676879 -3.6421572 ] [ 15.8784348 -31.2503238 17.7537058 ] [ 8.6883396 19.596333 -38.934355 ] [ -15.0926557 13.873247 26.0543165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.72760152753507e-08 -4.144741356336497e-09 -1.973096530281408e-09 ] [ 2.096803791526617e-09 5.891009571310483e-10 -5.83537911511839e-09 ] [ 2.544005701145713e-08 -5.006853818478981e-08 2.844457236532136e-08 ] [ 1.392025458069083e-08 3.139678658601153e-08 -6.237971332692758e-08 ] [ -2.418110010832386e-08 2.222739199798373e-08 4.174361676722368e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.6730151 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.486995541865374e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0862347 0.1536171 0.6426508 ] [ -0.3009284 -0.0204608 2.4930376 ] [ 3.3846752 0.2322832 1.2376472 ] [ 2.2703809 2.2258729 0.5842073 ] [ 1.7606036 3.5870994 2.3913093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0862347e-10 1.536171e-11 6.426508e-11 ] [ -3.009284e-11 -2.04608e-12 2.4930376e-10 ] [ 3.3846752e-10 2.322832e-11 1.2376472e-10 ] [ 2.2703809e-10 2.2258729e-10 5.842073e-11 ] [ 1.7606036e-10 3.5870994e-10 2.3913093e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.34e-05 8.4e-06 2.75e-05 ] [ 3.34e-05 -1.16e-05 -2.49e-05 ] [ -4.2e-06 -7.1e-06 6.7e-06 ] [ 3.02e-05 -9.8e-06 -2.74e-05 ] [ -1.59e-05 2.01e-05 1.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.953446534272e-14 1.345828361472e-14 4.4059857072e-14 ] [ 5.351269913472e-14 -1.858524880128e-14 -3.989419785791999e-14 ] [ -6.72914180736e-15 -1.137545400768e-14 1.073458335936e-14 ] [ 4.838573394816e-14 -1.570133088384e-14 -4.389963940992e-14 ] [ -2.547460827072e-14 3.220375007808e-14 2.88391791744e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.534161 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.847976309474315e-18 } }