{ "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" [ [ -0.0466856 -1.8301621 -1.3482724 ] [ 2.7138514 1.8379879 0.7431067 ] [ -0.4718431 0.7439018 -0.5804749 ] [ -1.0253402 -0.1280741 0.5332295 ] [ 1.6283298 -0.7361272 0.142256 ] [ 0.2268206 -0.0743636 -0.1984112 ] [ -1.4983005 0.1668063 0.8900514 ] [ -1.5268324 0.0200311 -0.1814851 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.479857684802048e-11 -2.932242928894231e-09 -2.160170517749906e-09 ] [ 4.348069265405349e-09 2.944781242693288e-09 1.190588181499839e-09 ] [ -7.559759835057966e-10 1.191862072131037e-09 -9.30023313741218e-10 ] [ -1.642776096806396e-09 -2.051973287500013e-10 8.543278384208737e-10 ] [ 2.60887193651194e-09 -1.179405789774966e-09 2.279192373685248e-10 ] [ 3.634066624358285e-10 -1.191436213585229e-10 -3.17889785944873e-10 ] [ -2.40054203203295e-09 2.67253154062151e-10 1.426019544390309e-09 ] [ -2.446255175159954e-09 3.209336010890688e-11 -2.907711842435501e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -217.53038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485220891497399e-17 } }