{ "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" [ 5.42356 0 0 ] "si-unit" "m" "si-value" [ 5.42356e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0141122 5.36968 0 ] "si-unit" "m" "si-value" [ 1.41122e-12 5.36968e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.125956 0.0899535 5.38067 ] "si-unit" "m" "si-value" [ -1.25956e-11 8.99535e-12 5.380670000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0132742 0.0797855 -0.0480858 ] [ 1.38077 1.28242 1.3281 ] [ 0.0139699 2.87381 2.72647 ] [ 1.34708 4.2887 4.09361 ] [ 2.73598 0.0766444 2.67003 ] [ 4.1072 1.37855 3.98819 ] [ 2.71459 2.70679 -0.0921964 ] [ 4.08895 4.12737 1.11939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.32742e-12 7.97855e-12 -4.80858e-12 ] [ 1.38077e-10 1.28242e-10 1.3281e-10 ] [ 1.39699e-12 2.873810000000001e-10 2.72647e-10 ] [ 1.34708e-10 4.2887e-10 4.09361e-10 ] [ 2.73598e-10 7.66444e-12 2.67003e-10 ] [ 4.1072e-10 1.37855e-10 3.98819e-10 ] [ 2.71459e-10 2.70679e-10 -9.21964e-12 ] [ 4.08895e-10 4.12737e-10 1.11939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9921963 -0.6352812 0.6592559 ] [ -0.5461766 2.3801459 -0.0728595 ] [ 0.1845233 -0.6316169 -1.0887527 ] [ -0.5787926 -0.9884696 -1.1318069 ] [ 0.6725544 -0.6866676 -0.3969158 ] [ -1.7691957 2.5569762 -1.0116996 ] [ 0.6940083 -1.0658226 0.4246096 ] [ -0.6491176 -0.9292642 2.618169 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.191850362201254e-09 -1.017832694659481e-09 1.056244398806641e-09 ] [ -8.750713865575644e-10 3.8134141464909e-09 -1.16733788464923e-10 ] [ 2.956389196885722e-10 -1.011961838819515e-09 -1.744374136144411e-09 ] [ -9.273279796521082e-10 -1.583702896539326e-09 -1.813354569379974e-09 ] [ 1.077550944773889e-09 -1.100162784044858e-09 -6.359292204254172e-10 ] [ -2.834564011513274e-09 4.09672752133411e-09 -1.620921459747146e-09 ] [ 1.111923882062062e-09 -1.707636065709128e-09 6.802995796920863e-10 ] [ -1.040001051438158e-09 -1.488845388052703e-09 4.194769195663146e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.042744 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.774684226204369e-18 } }