{ "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" [ [ 2.0949675 0.0174481 -2.057315 ] [ -0.939151 2.140816 -1.3120683 ] [ -0.0211836 -0.4286019 -1.7594829 ] [ -0.3943735 -0.3027036 2.1382296 ] [ 1.1978806 0.3594548 1.2691269 ] [ -1.3056131 1.368096 2.2641107 ] [ -0.2045578 -1.2364235 -0.5412998 ] [ -0.4279691 -1.9180859 -0.0013011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.356507949835824e-09 2.795493789738048e-11 -3.296181994621152e-09 ] [ -1.504685775600941e-09 3.429965344634573e-09 -2.102165155152801e-09 ] [ -3.393986866437888e-11 -6.866959438104595e-10 -2.819002367077385e-09 ] [ -6.318560015630688e-10 -4.849846309519949e-10 3.425821475022535e-09 ] [ 1.919216291829876e-09 5.759100767943399e-10 2.03336544800838e-09 ] [ -2.091822784630212e-09 2.191931426209996e-09 3.627505230443122e-09 ] [ -3.277377247622823e-10 -1.980968825107709e-09 -8.672578844037158e-10 ] [ -6.856820864448173e-10 -3.073112385666127e-09 -2.08459200132288e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -218.04123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.493405610764756e-17 } }