{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7258428 -0.7679579 -2.3428976 ] [ -0.275909 -0.0757904 0.8872598 ] [ -0.0250069 -0.5807605 -1.3245004 ] [ -1.7174887 -1.2074587 5.4843367 ] [ 2.0147126 1.0649661 -3.0748948 ] [ -1.1663923 0.842212 3.0257562 ] [ 0.5706316 -0.314467 -3.6173036 ] [ -0.1263901 1.0392565 0.9622437 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.16292836453601e-09 -1.230404193138664e-09 -3.75373575964843e-09 ] [ -4.420549492683072e-10 -1.214296069610803e-10 1.421546908135684e-09 ] [ -4.006547053868352e-11 -9.304808953841184e-10 -2.122083575120249e-09 ] [ -2.751720241628185e-09 -1.934562099721561e-09 8.786876041335423e-09 ] [ 3.227925425351182e-09 1.706263787364555e-09 -4.926524559979491e-09 ] [ -1.86876647374114e-09 1.34937237615721e-09 4.847795843880649e-09 ] [ 9.142526086096973e-10 -5.038316754131136e-10 -5.795559258255676e-09 ] [ -2.024992633205741e-10 1.665072467314435e-09 1.541684359652089e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.088543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.30136900109355e-18 } }