{ "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" [ [ -1.275085053868886e-09 9.371316907547214e-10 2.021711375486342e-10 ] [ 6.819201757391788e-10 9.730595401701888e-11 -1.76791794699787e-09 ] [ 1.754078986218048e-11 1.152995189922374e-10 -7.410850335567572e-10 ] [ 1.705281973531329e-09 -5.059870836210758e-10 9.191496614511726e-10 ] [ -1.435453480768904e-09 -2.287446787635609e-10 -5.50171429816512e-11 ] [ 6.099696280522925e-10 -1.030411695358994e-09 2.853059515070406e-09 ] [ -2.595695956417805e-10 1.219131919305364e-09 1.312968840503027e-09 ] [ -4.460443690540992e-11 -6.037253048903865e-10 -2.723329351472285e-09 ] ] "source-value" [ [ -0.7958455 0.5849116 0.1261853 ] [ 0.4256211 0.0607336 -1.1034476 ] [ 0.0109481 0.0719643 -0.4625489 ] [ 1.0643533 -0.3158123 0.5736881 ] [ -0.8959396 -0.1427712 -0.034339 ] [ 0.3807131 -0.6431324 1.7807397 ] [ -0.1620106 0.7609223 0.8194907 ] [ -0.0278399 -0.3768157 -1.6997685 ] ] } "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" -5.506024954363383e-18 "source-value" -34.365905 } }