{ "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" [ 5.33408 0 0 ] "si-unit" "m" "si-value" [ 5.33408e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.034982 5.4373 0 ] "si-unit" "m" "si-value" [ 3.4982e-12 5.437299999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.179208 0.185424 5.40079 ] "si-unit" "m" "si-value" [ 1.79208e-11 1.85424e-11 5.40079e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0492126 -0.0420999 -0.0477888 ] [ 1.41891 1.35069 1.31795 ] [ 0.0600152 2.70621 2.67075 ] [ 1.52388 3.98641 4.19062 ] [ 2.7955 -0.0317733 2.51171 ] [ 4.14719 1.34284 3.96242 ] [ 2.77343 2.76788 -0.181612 ] [ 4.04692 4.12597 1.21449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.92126e-12 -4.209990000000001e-12 -4.77888e-12 ] [ 1.41891e-10 1.35069e-10 1.31795e-10 ] [ 6.00152e-12 2.70621e-10 2.67075e-10 ] [ 1.52388e-10 3.98641e-10 4.19062e-10 ] [ 2.7955e-10 -3.17733e-12 2.51171e-10 ] [ 4.14719e-10 1.34284e-10 3.96242e-10 ] [ 2.77343e-10 2.76788e-10 -1.81612e-11 ] [ 4.04692e-10 4.12597e-10 1.21449e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9238075 1.0575442 -0.346141 ] [ -0.183779 0.3434822 -0.2226616 ] [ 0.676017 1.1583691 -0.4645442 ] [ -2.0097912 1.2319143 -1.8871696 ] [ -1.3074525 0.1314104 1.4845779 ] [ -1.0360309 -0.7730745 -0.4376991 ] [ 1.4590133 -1.6012347 0.9982322 ] [ 0.4782156 -1.548411 0.8754054 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.082279399419696e-09 1.694372592702639e-09 -5.545790177003328e-10 ] [ -2.944464171940032e-10 5.503191505009498e-10 -3.567432098699213e-10 ] [ 1.083098632663353e-09 1.855911890277138e-09 -7.442818565682395e-10 ] [ -3.220040473329577e-09 1.973744290289197e-09 -3.023579012604488e-09 ] [ -2.094769828306512e-09 2.105426706099763e-10 2.37855600313636e-09 ] [ -1.659904486406383e-09 -1.23860189003665e-09 -7.012712649652013e-10 ] [ 2.337596998696256e-09 -2.565460800753702e-09 1.59934429296975e-09 ] [ 7.661858540218445e-10 -2.480827903589549e-09 1.402554065602072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 158.07568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.532651588130622e-17 } }