{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] "source-value" [ 5.42333 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] "source-value" [ 0.0707092 5.40512 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] "source-value" [ -0.00203562 -0.0726392 5.50089 ] } "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" [ [ -2.471347343871289e-09 1.782157772368217e-09 4.760297453830195e-10 ] [ 1.062534535517724e-09 1.098713446009671e-10 -2.272286832231938e-09 ] [ 1.54383656350681e-10 2.55477155899271e-10 -1.260930624512429e-09 ] [ 3.14194846221984e-09 -7.319052023902214e-10 7.21958729710633e-10 ] [ -2.967094596273508e-09 -4.458559530834932e-10 2.167703311350259e-10 ] [ 1.369403749576424e-09 -1.705788421561164e-09 4.396064228475697e-09 ] [ -5.700518781980467e-10 1.907659150993398e-09 1.930908656373151e-09 ] [ 2.802235748958374e-10 -1.171615846826974e-09 -4.208514234333158e-09 ] ] "source-value" [ [ -1.5424937 1.1123354 0.2971144 ] [ 0.6631819 0.0685763 -1.4182499 ] [ 0.0963587 0.1594563 -0.787011 ] [ 1.96105 -0.4568193 0.4506112 ] [ -1.8519148 -0.2782814 0.1352974 ] [ 0.8547146 -1.0646694 2.7438075 ] [ -0.3557984 1.1906672 1.2051784 ] [ 0.1749018 -0.7312651 -2.626748 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.854981585856216e-18 "source-value" -36.543921 } }