{ "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" [ [ 1.2326004 0.7164382 -1.5959108 ] [ -0.5263695 1.7618861 -0.4940927 ] [ 0.2924431 -0.1485729 -1.7479241 ] [ -0.2617829 -0.318877 2.4941517 ] [ 0.4036953 0.2715272 -0.3134974 ] [ -0.9380822 0.4931814 1.7240148 ] [ 0.2407633 -0.6923697 -1.0042424 ] [ -0.4432675 -2.0832133 0.9375009 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.974843543668728e-09 1.147860534288035e-09 -2.556930972642225e-09 ] [ -8.433369068021857e-10 2.822852717932491e-09 -7.916237724479481e-10 ] [ 4.685454977342765e-10 -2.380400268644564e-10 -2.800483127952881e-09 ] [ -4.194224421052243e-10 -5.108972743108416e-10 3.996071542468575e-09 ] [ 6.467911715868422e-10 4.350345317512858e-10 -5.022782049615858e-10 ] [ -1.50297336922863e-09 7.90163708893413e-10 2.762176206473188e-09 ] [ 3.857453304066566e-10 -1.10929854629031e-09 -1.608973694896082e-09 ] [ -7.101928252604641e-10 -3.337675645399617e-09 1.502042023958959e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.062944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.695090968361964e-18 } }