{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] "source-value" [ 5.45189 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] "source-value" [ 0.103872 5.48254 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] "source-value" [ -0.0133572 0.0848103 5.46172 ] } "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" [ [ -3.799981306066525e-09 -4.794572017190659e-09 -5.337866904950698e-09 ] [ 4.662106777883171e-09 4.976183703905863e-09 2.543845355309503e-09 ] [ -4.336524941981836e-10 3.801532533470784e-10 -4.263616292675712e-10 ] [ 9.551709177636327e-10 7.504082595308544e-11 2.507603158841034e-09 ] [ 1.315673795291923e-10 -1.00392002536939e-09 -2.355442842987037e-09 ] [ -1.441412616492307e-10 9.046289745192e-11 7.042207119064321e-11 ] [ -1.229037536481122e-09 2.94578276329895e-10 7.686692277840844e-10 ] [ -1.420324767809338e-10 -1.79267542101312e-11 2.229131724297704e-09 ] ] "source-value" [ [ -2.3717618 -2.9925365 -3.3316345 ] [ 2.9098582 3.1058896 1.5877434 ] [ -0.2706646 0.237273 -0.266114 ] [ 0.5961708 0.0468368 1.5651228 ] [ 0.0821179 -0.6265976 -1.4701518 ] [ -0.0899659 0.0564625 0.043954 ] [ -0.7671049 0.1838613 0.4797656 ] [ -0.0886497 -0.011189 1.3913146 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.776547029384953e-18 "source-value" -36.054371 } }