{ "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" [ [ -1.02148084243933e-09 7.768446544270406e-10 1.986945744991603e-10 ] [ 5.290111627502823e-10 1.064899508427687e-10 -1.535402385339594e-09 ] [ 4.70086631425824e-11 2.719566639678336e-11 -6.901308502677926e-10 ] [ 1.492974986026527e-09 -4.201528744266471e-10 7.546125312014958e-10 ] [ -1.327556658635411e-09 -2.414688450506304e-10 -5.845124835067391e-11 ] [ 4.5718494396917e-10 -8.337699897640646e-10 2.563140528571459e-09 ] [ -1.839394891275648e-10 1.030448064768286e-09 1.121188459210929e-09 ] [ 6.79707409608192e-12 -4.455866271935367e-10 -2.353651609524983e-09 ] ] "source-value" [ [ -0.6375582 0.4848683 0.1240154 ] [ 0.3301828 0.0664658 -0.9583228 ] [ 0.0293405 0.0169742 -0.4307458 ] [ 0.9318417 -0.2622388 0.4709921 ] [ -0.8285957 -0.150713 -0.0364824 ] [ 0.2853524 -0.5203983 1.5997865 ] [ -0.114806 0.6431551 0.6997908 ] [ 0.0042424 -0.2781133 -1.4690338 ] ] } "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" -5.887536372831914e-18 "source-value" -36.747112 } }