{ "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" [ [ 1.4003393 1.0574275 -1.641765 ] [ -0.5472526 1.5646921 -0.7650481 ] [ 0.2932749 -0.1641792 -1.625168 ] [ -0.2855283 -0.330064 2.4835858 ] [ 0.4955949 0.3462182 -0.1331937 ] [ -0.8708886 0.4447376 1.8174548 ] [ 0.2022813 -0.6358517 -0.9043625 ] [ -0.687821 -2.2829804 0.7684967 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.243590887647437e-09 1.694185618690992e-09 -2.630397499847712e-09 ] [ -8.767953213920141e-10 2.506913101370456e-09 -1.225742179607461e-09 ] [ 4.69878188247458e-10 -2.630440758616474e-10 -2.603806174472295e-09 ] [ -4.574667668367686e-10 -5.288208241677312e-10 3.979143104510865e-09 ] [ 7.94030562167714e-10 5.547027057354586e-10 -2.13399832177849e-10 ] [ -1.395317354241243e-09 7.125481851107021e-10 2.91188358992074e-09 ] [ 3.240903696850311e-10 -1.018746728035935e-09 -1.44894845422824e-09 ] [ -1.102010725495277e-09 -3.657737822624633e-09 1.231267445901951e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.157167 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.793016764176128e-18 } }