{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] "source-value" [ 5.4484 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] "source-value" [ 0.00476084 5.4399 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] "source-value" [ -0.0697031 -0.0639637 5.39979 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -5.189598115890962e-09 5.153787706021799e-09 4.249668544103337e-09 ] [ 3.860840145225275e-09 -2.796767039498598e-09 -2.577545698569072e-09 ] [ 9.4560988071371e-09 1.736138933941964e-08 -1.20642572943998e-08 ] [ 3.135732177148798e-09 -4.613958806945538e-09 -4.008791703314093e-09 ] [ 9.66426689177739e-10 4.514365104931678e-09 1.760373457508185e-09 ] [ -1.233437562091293e-08 -1.724182594778647e-08 1.01185696802234e-08 ] [ -1.036674587747935e-08 -7.306711098262841e-09 -5.073499911853256e-09 ] [ 1.0471621475159e-08 4.929720581902664e-09 7.595483086518956e-09 ] ] "source-value" [ [ -3.2390924 3.2167413 2.6524345 ] [ 2.4097469 -1.7456047 -1.6087775 ] [ 5.9020327 10.836127 -7.5299172 ] [ 1.9571701 -2.8798066 -2.502091 ] [ 0.6031961 2.8176451 1.0987387 ] [ -7.6985118 -10.7615014 6.3155145 ] [ -6.4704139 -4.5604904 -3.1666296 ] [ 6.5358721 3.0768896 4.7407277 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.456550861836712e-18 "source-value" -34.057112 } }