{ "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" [ [ -2.0890888 -2.7448603 -3.5704656 ] [ 1.7037512 1.8995395 2.8551408 ] [ -0.0685969 0.4032384 -0.4553729 ] [ 0.4506439 -0.0847247 1.6977008 ] [ 0.2437363 -0.4640448 -1.6510081 ] [ -0.242171 -0.1076771 0.1947391 ] [ 0.2092102 1.2241803 -0.612279 ] [ -0.2074848 -0.1256512 1.5415447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.347089261711098e-09 -4.397751036254229e-09 -5.720516556820789e-09 ] [ 2.72971036278946e-09 3.043397802260042e-09 4.574439876540067e-09 ] [ -1.099043503448346e-10 6.460591424115454e-10 -7.295878201368186e-10 ] [ 7.220111268346325e-10 -1.357439346626598e-10 2.720016553283107e-09 ] [ 3.905086047176142e-10 -7.434817356892031e-10 -2.645206600364735e-09 ] [ -3.88000717632414e-10 -1.725177336368814e-10 3.120064357461893e-10 ] [ 3.351916940344668e-10 1.96135307246311e-09 -9.80979107288886e-10 ] [ -3.324272984701632e-10 -2.013154166740608e-10 2.46982689860654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.187223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.477396987194738e-18 } }