{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.470416 0.8691467 -1.982555 ] [ -0.5614427 1.888386 -0.7383645 ] [ 0.1905873 -0.1562501 -1.7571041 ] [ -0.1994132 -0.4780898 2.6564379 ] [ 0.6537458 0.3267786 -0.0559759 ] [ -0.9299493 0.5134181 1.8586771 ] [ 0.0836382 -0.6765223 -0.9646649 ] [ -0.707582 -2.2868672 0.9835494 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.355866157459744e-09 1.392526534258208e-09 -3.17640329661987e-09 ] [ -8.995303752698716e-10 3.025527925172723e-09 -1.182990349275093e-09 ] [ 3.053545187971481e-10 -2.503402592801634e-10 -2.815191132525599e-09 ] [ -3.194951695511688e-10 -7.659843065137331e-10 4.256082733052028e-09 ] [ 1.047416245335637e-09 5.235570374112323e-10 -8.96832790471206e-11 ] [ -1.489943039264656e-09 8.225864832926752e-10 2.977929019770881e-09 ] [ 1.340031697498188e-10 -1.083908221439938e-09 -1.545563562419946e-09 ] [ -1.133671347038988e-09 -3.663965192901004e-09 1.575819867064719e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.821391074190156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.137042943644363e-18 } }