{ "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" [ [ -11.5983593 -4.0408673 -1.9362228 ] [ 1.6628212 1.8358382 10.8368793 ] [ 2.2982805 0.908913 2.9817417 ] [ 4.0243774 -2.5849997 -7.7919663 ] [ -6.2466516 2.9862381 5.2643985 ] [ -3.1165185 0.9920785 -0.4746645 ] [ 9.5689338 4.3185379 -2.5807834 ] [ 3.4071164 -4.4157388 -6.2993825 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.858262011009826e-08 -6.474183115815221e-09 -3.102170902819914e-09 ] [ 2.664133251210601e-09 2.941337043611555e-09 1.736259465689147e-08 ] [ 3.682251285140535e-09 1.45623915894119e-09 4.777276841004447e-09 ] [ 6.447763383555889e-09 -4.141626084115014e-09 -1.248410623592148e-08 ] [ -1.000823915180291e-08 4.784480867962213e-09 8.43449619927459e-09 ] [ -4.993213078990685e-09 1.589484978698333e-09 -7.604963646237217e-10 ] [ 1.533112202034291e-08 6.919060459418728e-09 -4.134870826828735e-09 ] [ 5.458802240424261e-09 -7.074793468919447e-09 -1.009272336697666e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.047638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.250679718106167e-18 } }