{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5848703 3.8684183 2.1679353 ] [ -3.1048169 -1.6989419 4.2911742 ] [ -0.7455221 -5.1940155 -1.9733574 ] [ 2.6511695 -1.959758 2.5239438 ] [ 0.6838657 1.7516431 -3.2658482 ] [ 1.6131631 1.0437649 0.9088041 ] [ 1.0043131 1.3194096 -4.1416772 ] [ 0.4826981 0.8694795 -0.5109747 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.141418762460282e-09 6.197889359734882e-09 3.473415253067034e-09 ] [ -4.974465049044731e-09 -2.722004992277531e-09 6.875218979020144e-09 ] [ -1.19445807890972e-09 -8.321730202172823e-09 -3.161667090762674e-09 ] [ 4.247641790678025e-09 -3.139878450025766e-09 4.043803748573111e-09 ] [ 1.095673636307027e-09 2.806441622805636e-09 -5.232465633121763e-09 ] [ 2.584572204357253e-09 1.67229572039165e-09 1.456064681907185e-09 ] [ 1.609086968783173e-09 2.11392721437908e-09 -6.635698380740406e-09 ] [ 7.733676107245805e-10 1.393059727164874e-09 -8.186717181602937e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.601359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.742660533370767e-18 } }