{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1146187 9.8417417 9.5915384 ] [ -6.3636946 -6.0879729 5.1061444 ] [ 1.2038971 0.7905262 -3.3327005 ] [ 9.5747852 -9.2538645 -6.9698643 ] [ -7.6714239 -4.604765 -5.4054959 ] [ 6.3413097 6.4775543 7.9016149 ] [ 2.7622488 4.3390546 -6.1804962 ] [ 3.2674964 -1.5022745 -0.7107407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.460322910895945e-08 1.576820858960344e-08 1.536733870859374e-08 ] [ -1.019576279403197e-08 -9.754007928805217e-09 8.180945247509949e-09 ] [ 1.928855803360361e-09 1.266562606204811e-09 -5.339574869220117e-09 ] [ 1.534049712300902e-08 -1.482632547610209e-08 -1.116695372361077e-08 ] [ -1.229097612208915e-08 -7.37764688806101e-09 -8.6605592261628e-09 ] [ 1.015989823029755e-08 1.037818614492623e-08 1.265978276364625e-08 ] [ 4.425610484654539e-09 6.951931893770216e-09 -9.90224659816579e-09 ] [ 5.235106383759118e-09 -2.406909101754032e-09 -1.138732142372804e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.141383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.348528965704482e-18 } }