{ "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" [ [ -1.9479625 -2.4900097 -2.6805478 ] [ 2.4114484 2.5137399 1.2416165 ] [ -0.2431797 0.1926566 -0.29801 ] [ 0.7314841 0.1973709 1.3272645 ] [ -0.0184526 -0.755156 -1.3308197 ] [ -0.1422842 0.1503829 0.0767171 ] [ -0.6799332 0.1444793 0.3616474 ] [ -0.1111203 0.046536 1.302132 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.120980001408225e-09 -3.989435359773349e-09 -4.294711051480104e-09 ] [ 3.863566280576685e-09 4.027455331733496e-09 1.989288944688861e-09 ] [ -3.896168332031298e-10 3.086699029058844e-10 -4.7746465869834e-10 ] [ 1.171966733162519e-09 3.162230442115505e-10 2.126512169037693e-09 ] [ -2.95643245565484e-11 -1.209893298224904e-09 -2.132208227406889e-09 ] [ -2.279644206273828e-10 2.409399685331586e-10 1.229143450482414e-10 ] [ -1.089373085720849e-09 2.314813585566762e-10 5.794230140268515e-10 ] [ -1.780343482230702e-10 7.455889183982399e-11 2.086245464783688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.979662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76457737556177e-18 } }