{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.51526e-10 0.0 0.0 ] "source-value" [ 5.51526 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] "source-value" [ -0.0933018 5.35906 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] "source-value" [ 0.235006 -0.443739 5.60819 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.36582261245891e-08 1.381754464514951e-08 1.534315660981238e-08 ] [ -8.957628335132508e-09 -8.057010249565818e-09 7.013018825604247e-09 ] [ 2.096365916656153e-09 3.878244750074688e-10 -4.818059926451587e-09 ] [ 1.38456330443594e-08 -1.304994471004215e-08 -1.220128457141735e-08 ] [ -1.025396241665242e-08 -7.584919455405036e-09 -7.429268477347302e-09 ] [ 9.045142586731507e-09 1.000237887037701e-08 1.252996357494436e-08 ] [ 3.768750718067919e-09 6.29737363308554e-09 -8.861610851553938e-09 ] [ 4.113924610559044e-09 -1.813247368824192e-09 -1.575915023373143e-09 ] ] "source-value" [ [ -8.5247943 8.6242331 9.5764452 ] [ -5.5909119 -5.0287903 4.3771821 ] [ 1.3084487 0.24206100000000003 -3.0071965 ] [ 8.6417645 -8.1451349 -7.6154429 ] [ -6.40002 -4.7341344 -4.6369847 ] [ 5.645534 6.2429939 7.8205882 ] [ 2.3522692 3.9305115 -5.5309825 ] [ 2.5677098 -1.13174 -0.9836088 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.429754317804893e-18 "source-value" -27.648352 } }