{ "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" [ [ -9.320383712771983e-10 7.868874179215392e-10 3.846943025434119e-10 ] [ 4.122004707693063e-10 -1.272362154701837e-10 -9.72301069757902e-10 ] [ 1.933729448531731e-10 1.866849789849677e-10 -7.365337304300506e-10 ] [ 1.62136348692239e-09 -1.767210425802125e-10 1.911609798104967e-10 ] [ -1.909877845177881e-09 -2.55374937030864e-10 1.942381202284051e-10 ] [ 4.802255255175706e-10 -6.361519177364198e-10 2.168383275108127e-09 ] [ -3.609170401847673e-10 6.935601491069529e-10 6.256962733267411e-10 ] [ 4.956708285774068e-10 -4.716482729781179e-10 -1.855338150829229e-09 ] ] "source-value" [ [ -0.5817326 0.4911365 0.2401073 ] [ 0.2572753 -0.0794146 -0.6068626 ] [ 0.1206939 0.1165196 -0.4597082 ] [ 1.0119755 -0.1103006 0.1193133 ] [ -1.192052 -0.1593925 0.1212339 ] [ 0.2997332 -0.3970548 1.3533984 ] [ -0.2252667 0.4328862 0.3905289 ] [ 0.3093734 -0.2943797 -1.158011 ] ] } "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" -1.008732355111157e-17 "source-value" -62.960122 } }