{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] "source-value" [ 5.45189 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] "source-value" [ 0.103872 5.48254 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] "source-value" [ -0.0133572 0.0848103 5.46172 ] } "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" [ [ -4.812420745399358e-09 -5.973405509476676e-09 -6.598532369232383e-09 ] [ 5.80736713973331e-09 6.099024808301148e-09 3.489838204300882e-09 ] [ -8.226460774858501e-10 1.949001396081197e-10 -9.432138736426023e-10 ] [ 1.638980059738735e-09 3.720661066359283e-10 3.201397866605272e-09 ] [ -3.0555510879432e-10 -1.704324833218063e-09 -3.053999379885955e-09 ] [ 3.405522538107648e-11 6.661313660118431e-10 5.037637431243917e-10 ] [ -1.640609152926764e-09 1.091856130072646e-10 4.362712518848813e-10 ] [ 1.008286597531718e-10 2.364223091304345e-10 2.964474556845514e-09 ] ] "source-value" [ [ -3.0036768 -3.7283065 -4.11848 ] [ 3.6246735 3.8067119 2.1781857 ] [ -0.5134553 0.1216471 -0.5887078 ] [ 1.0229709 0.2322254 1.9981554 ] [ -0.1907125 -1.0637559 -1.9061565 ] [ 0.0212556 0.4157665 0.3144246 ] [ -1.0239877 0.0681483 0.2722991 ] [ 0.0629323 0.1475632 1.8502795 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.736358351464129e-18 "source-value" -35.803533 } }