{ "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" [ [ 1.9368223 1.4643049 -2.6071222 ] [ -0.7613871 3.3162445 -0.9094227 ] [ 0.6359575 -0.2992817 -3.0453676 ] [ -0.3636735 -0.8801188 4.6764243 ] [ 0.4320852 0.5632454 -0.9229393 ] [ -1.6213042 0.9773829 3.1180063 ] [ 0.4963725 -1.2039085 -1.885457 ] [ -0.7548728 -3.9378686 1.5758782 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.103131407704084e-09 2.346075076502882e-09 -4.177070236408662e-09 ] [ -1.219876610998712e-09 5.313209406756586e-09 -1.457055788364812e-09 ] [ 1.018916238322416e-09 -4.795021427732793e-10 -4.879216770461806e-09 ] [ -5.826691793045088e-10 -1.410105764886551e-09 7.492457682401005e-09 ] [ 6.922768056336922e-10 9.024186116531443e-10 -1.478711768877518e-09 ] [ -2.597615684444847e-09 1.565940031949705e-09 4.995596797367111e-09 ] [ 7.952764147080481e-10 -1.928874052282397e-09 -3.020835124923706e-09 ] [ -1.209439551837834e-09 -6.309161006702427e-09 2.524835209268387e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.448663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.6795019097218e-18 } }