{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.485269 -5.301835 -1.6118474 ] [ -7.2492885 2.4380878 -10.9322179 ] [ -7.1456794 -1.8531895 7.0284287 ] [ 5.7234949 -0.202694 -1.2342825 ] [ 3.4660813 -1.4816152 2.4837678 ] [ 1.7413625 -0.0086974 -0.7605176 ] [ 8.9492981 6.4099433 5.026669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.788369750598995e-09 -8.494476084339168e-09 -2.582464220577266e-09 ] [ -1.16146405521343e-08 3.906247272617706e-09 -1.751534393287127e-08 ] [ -1.144864047441217e-08 -2.969136890812041e-09 1.126078414409974e-08 ] [ 9.170049718048033e-09 -3.247515879764352e-10 -1.977538564962576e-09 ] [ 5.553274424652071e-09 -2.373809234461916e-09 3.97943470065585e-09 ] [ 2.78997028583784e-09 -1.393477094174592e-11 -1.218483518426926e-09 ] [ 1.433835618838986e-08 1.02698612959136e-08 8.053611552300116e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.186606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.7922918599301e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8897961 1.5618356 2.629865 ] [ 1.7758087 4.0858805 2.3120063 ] [ 1.6480428 2.9755535 4.7340971 ] [ 4.3065125 1.711001 2.8257067 ] [ 4.1277197 2.5305021 5.1055247 ] [ 4.2941603 3.9769528 1.950244 ] [ 3.493733 4.8294605 4.2124062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8897961e-10 1.5618356e-10 2.629865e-10 ] [ 1.7758087e-10 4.0858805e-10 2.3120063e-10 ] [ 1.6480428e-10 2.9755535e-10 4.7340971e-10 ] [ 4.3065125e-10 1.711001e-10 2.8257067e-10 ] [ 4.1277197e-10 2.5305021e-10 5.1055247e-10 ] [ 4.2941603e-10 3.9769528e-10 1.950244e-10 ] [ 3.493733e-10 4.8294605e-10 4.212406200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.4e-06 1.7e-06 -8.5e-06 ] [ 5.5e-06 3.2e-06 -1e-05 ] [ 7.2e-06 -1.27e-05 1.5e-06 ] [ -1.63e-05 -2.5e-06 1.6e-06 ] [ 1.95e-05 -2e-07 9e-06 ] [ -1.1e-06 -3.2e-06 1.37e-05 ] [ -8.4e-06 1.37e-05 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.025393037312e-14 2.72370025536e-15 -1.36185012768e-14 ] [ 8.8119714144e-15 5.126965186560001e-15 -1.6021766208e-14 ] [ 1.153567166976e-14 -2.034764308416e-14 2.4032649312e-15 ] [ -2.611547891904e-14 -4.005441552e-15 2.56348259328e-15 ] [ 3.12424441056e-14 -3.2043532416e-16 1.44195895872e-14 ] [ -1.76239428288e-15 -5.126965186560001e-15 2.194981970496e-14 ] [ -1.345828361472e-14 2.194981970496e-14 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.482183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.800954488314721e-18 } }