{ "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" [ 5.45189 0 0 ] "si-unit" "m" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103872 5.48254 0 ] "si-unit" "m" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0133572 0.0848103 5.46172 ] "si-unit" "m" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9452939 -3.6415055 -4.0037966 ] [ 3.4577799 3.7197466 2.0085108 ] [ -0.4645637 0.1461293 -0.4982621 ] [ 1.0290186 0.2090933 1.979369 ] [ -0.1734266 -1.0338764 -1.9068109 ] [ -0.0370193 0.3754738 0.2554986 ] [ -0.9447195 0.1097391 0.309363 ] [ 0.0782243 0.1151999 1.8561282 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.718881027964853e-09 -5.834334976614614e-09 -6.41478930695853e-09 ] [ 5.539974115652162e-09 5.959691037820289e-09 3.217989046384304e-09 ] [ -7.44313099012345e-10 2.341249480738694e-10 -7.983038876507117e-10 ] [ 1.648669543288347e-09 3.350043968259207e-10 3.171298735736275e-09 ] [ -2.778600439448333e-10 -1.656452596876869e-09 -3.055047844266607e-09 ] [ -5.931145697838144e-11 6.015753440829351e-10 4.093538835671309e-10 ] [ -1.513607496113866e-09 1.758214204076333e-10 4.956541659405504e-10 ] [ 1.253291446384454e-10 1.845705864984979e-10 2.973845207247587e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.768476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.73074160088459e-18 } }