{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.21631e-10 0.0 0.0 ] "source-value" [ 5.21631 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] "source-value" [ 0.340777 5.491 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] "source-value" [ 0.0764414 0.261433 5.31631 ] } "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" [ [ 1.063181254110709e-08 -8.93697115152521e-09 1.403609098906869e-09 ] [ 2.787795971945752e-09 -5.848816089784053e-09 5.695779062883154e-09 ] [ 1.187518090659062e-09 -5.505335537763452e-09 2.352256113688266e-09 ] [ 2.971652308106697e-09 2.18548907401776e-09 -1.85619323249175e-09 ] [ -3.99262333794529e-09 3.814831881164721e-09 -3.726313545477466e-10 ] [ -7.285905713318119e-09 9.150936071397213e-09 -4.981030929054433e-09 ] [ -4.299750182004614e-10 4.871128181791698e-09 -1.518932970983743e-09 ] [ -5.870274682137076e-09 2.687375707013222e-10 -7.228557884006189e-10 ] ] "source-value" [ [ 6.6358555 -5.5780187 0.8760639 ] [ 1.7400054 -3.6505439 3.5550257 ] [ 0.7411905 -3.4361602 1.4681628 ] [ 1.8547595 1.364075 -1.1585447 ] [ -2.4919995 2.3810308 -0.2325782 ] [ -4.5475047 5.7115651 -3.108915 ] [ -0.2683693 3.0403191 -0.9480434 ] [ -3.6639373 0.1677328 -0.4511711 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.02562e-11 7.133879999999999e-12 -5.61849e-11 ] [ 1.48031e-10 1.58239e-10 7.79774e-11 ] [ 5.541660000000001e-11 2.97803e-10 2.26105e-10 ] [ 1.29704e-10 4.12978e-10 3.93608e-10 ] [ 3.06699e-10 -2.46774e-11 2.56051e-10 ] [ 4.28292e-10 1.50929e-10 4.5131e-10 ] [ 2.82838e-10 2.54855e-10 -6.98649e-11 ] [ 4.65405e-10 4.12903e-10 1.02077e-10 ] ] "source-value" [ [ -0.102562 0.0713388 -0.561849 ] [ 1.48031 1.58239 0.779774 ] [ 0.554166 2.97803 2.26105 ] [ 1.29704 4.12978 3.93608 ] [ 3.06699 -0.246774 2.56051 ] [ 4.28292 1.50929 4.5131 ] [ 2.82838 2.54855 -0.698649 ] [ 4.65405 4.12903 1.02077 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.120857305325176e-16 "source-value" 699.58411 } }