{ "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" [ [ -1.858262539728111e-08 -6.474187922345082e-09 -3.102176350220425e-09 ] [ 2.664138538393449e-09 2.941342010359079e-09 1.736259994407432e-08 ] [ 3.682251285140535e-09 1.456238998723528e-09 4.777276520569123e-09 ] [ 6.447763223338228e-09 -4.141626084115014e-09 -1.248410591548615e-08 ] [ -1.000823915180291e-08 4.784480867962213e-09 8.434495878839265e-09 ] [ -4.993212758555361e-09 1.589484818480671e-09 -7.604962044060596e-10 ] [ 1.533112186012524e-08 6.919060459418728e-09 -4.134870666611073e-09 ] [ 5.458802240424261e-09 -7.074793308701785e-09 -1.009272320675899e-08 ] ] "source-value" [ [ -11.5983626 -4.0408703 -1.9362262 ] [ 1.6628245 1.8358413 10.8368826 ] [ 2.2982805 0.9089129 2.9817415 ] [ 4.0243773 -2.5849997 -7.7919661 ] [ -6.2466516 2.9862381 5.2643983 ] [ -3.1165183 0.9920784 -0.4746644 ] [ 9.5689337 4.3185379 -2.5807833 ] [ 3.4071164 -4.4157387 -6.2993824 ] ] } "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" -2.250679557888505e-18 "source-value" -14.047637 } }