{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6990656 -0.4367953 -2.0757858 ] [ 0.3837064 0.2541911 -1.6896369 ] [ -0.088879 1.8782948 -1.7142764 ] [ -0.5000739 0.1832306 2.8456959 ] [ 0.6532687 -0.1232722 -0.3469637 ] [ -0.6412471 -0.9606239 3.1742151 ] [ -0.2135284 -0.6316469 -1.1126528 ] [ 1.105819 -0.1633782 0.9194046 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.120026560725524e-09 -6.998232177353223e-10 -3.325775478548624e-09 ] [ 6.147654233313331e-10 4.072590376354349e-10 -2.707096738820987e-09 ] [ -1.423998558800832e-10 3.009360015530212e-09 -2.746573569669189e-09 ] [ -8.012067112522771e-10 2.935677835351565e-10 4.559307440886414e-09 ] [ 1.046651838240409e-09 -1.975038368345818e-10 -5.55897128406265e-10 ] [ -1.0273911117758e-09 -1.539089153961717e-09 5.085653222610334e-09 ] [ -3.421102103568307e-10 -1.012009895780796e-09 -1.782666303227658e-09 ] [ 1.771717348636435e-09 -2.617607323883865e-10 1.473048555175976e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -216.34398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.466212668068228e-17 } }