{ "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" [ [ 3.0110324 2.0610203 -3.5283433 ] [ -1.2858074 2.9574659 -1.5891581 ] [ 0.3280578 -0.0369781 -2.7179054 ] [ -0.5018374 -0.4090241 3.975233 ] [ 1.608524 0.2052611 0.2329578 ] [ -1.383698 -0.0822657 2.3431935 ] [ 0.0789763 -0.8267858 -1.1041375 ] [ -1.8552476 -3.8686936 2.38816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.82420575549694e-09 3.30211856685967e-09 -5.653029191990452e-09 ] [ -2.060090572104291e-09 4.73838276083178e-09 -2.546111975551835e-09 ] [ 5.256065417614451e-10 -5.92454477897154e-11 -4.354564525302423e-09 ] [ -8.040321563473114e-10 -6.553288557628793e-10 6.369025427305721e-09 ] [ 2.577139568028216e-09 3.288645382891374e-10 3.732395438680451e-10 ] [ -2.216928604112532e-09 -1.318041823196538e-10 3.754209874640679e-09 ] [ 1.265339824997742e-10 -1.324656890082997e-09 -1.769023303223175e-09 ] [ -2.972434355004578e-09 -6.198330490025341e-09 3.82625415025344e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.631781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708840694600515e-18 } }