{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6755629 0.6027459 0.1988119 ] [ 0.4427696 0.0028399 -1.0915346 ] [ -0.0304178 0.0617641 -0.6047221 ] [ 1.0459591 -0.3543599 0.6663917 ] [ -0.9222149 -0.0993145 -0.1857444 ] [ 0.254235 -0.6943555 1.9318001 ] [ -0.1385983 0.8202279 0.7172095 ] [ 0.0238302 -0.339548 -1.632212 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.082371084259848e-09 9.657053892630548e-10 3.185317781168275e-10 ] [ 7.093951015209676e-10 4.550021385409919e-12 -1.74883121691428e-09 ] [ -4.873468801617024e-11 9.895699702475328e-11 -9.688716107010797e-10 ] [ 1.675811216333009e-09 -5.677471471290259e-10 1.067677202035167e-09 ] [ -1.47755115213341e-09 -1.591193700064416e-10 -2.975953351245236e-10 ] [ 4.07329373189088e-10 -1.112480148623894e-09 3.095084956279102e-09 ] [ -2.220589559426247e-10 1.31414996510788e-09 1.149096293115658e-09 ] [ 3.818018930898816e-11 -5.440158672393985e-10 -2.61509190658921e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.697251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.879547759982943e-18 } }