{ "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" [ [ 2.052559 1.222302 -2.7044181 ] [ -0.8505723 2.6288198 -0.8346922 ] [ 0.4287872 -0.2195185 -2.5731377 ] [ -0.4335396 -0.5665469 3.8112856 ] [ 0.7656267 0.4180102 -0.41568 ] [ -1.2893723 0.5881962 2.6195722 ] [ 0.259788 -0.9009271 -1.4778624 ] [ -0.9332766 -3.1703357 1.5749326 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.288562069706406e-09 1.958343704091468e-09 -4.332955488386675e-09 ] [ -1.362767064587638e-09 4.211833658556553e-09 -1.337324339422055e-09 ] [ 6.869928327982846e-10 -3.51707411430729e-10 -4.122621099004501e-09 ] [ -6.946070170337063e-10 -9.077082052451344e-10 6.106352733820671e-09 ] [ 1.226669209106528e-09 6.697261752136668e-10 -6.6599278322112e-10 ] [ -2.065802171586838e-09 9.423942078475907e-10 4.197017369915974e-09 ] [ 4.16226263393592e-10 -1.443444348557381e-09 -2.367796605547161e-09 ] [ -1.495273961578964e-09 -5.079437780476033e-09 2.523320211844868e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.731585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724831058278489e-18 } }