{ "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" [ [ -2.3061909 -2.949163 -3.0461064 ] [ 2.7051003 3.0333596 1.4319493 ] [ -0.2383682 0.2389601 -0.1842717 ] [ 0.8997748 0.1031397 1.3894565 ] [ 0.0101065 -0.8381043 -1.4321191 ] [ -0.3005842 0.3429366 -0.0142451 ] [ -0.6017586 0.1592252 0.3852509 ] [ -0.1680797 -0.0903541 1.4700857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.694925143081711e-09 -4.72508000952839e-09 -4.880400458549253e-09 ] [ 4.334048457579066e-09 4.85997783359924e-09 2.294235690630926e-09 ] [ -3.819079571821786e-10 3.828562855240301e-10 -2.952358096150714e-10 ] [ 1.441598148544996e-09 1.652480160163258e-10 2.226154719918595e-09 ] [ 1.61923980181152e-11 -1.342791115251949e-09 -2.294507740221137e-09 ] [ -4.815889778218714e-10 5.494450029366413e-10 -2.282316618095808e-11 ] [ -9.64123560285339e-10 2.551068928822042e-10 6.172399851221587e-10 ] [ -2.692933657710778e-10 -1.447632266134253e-10 2.355336939112402e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.802367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.736171537670143e-18 } }