{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4291092 0.0108605 1.5807847 ] [ -0.7552922 -0.2323836 -0.4513135 ] [ 1.3757061 1.1532514 0.667299 ] [ -1.4408123 0.5652084 -2.1477797 ] [ 0.3072001 0.1266425 0.0020008 ] [ -1.5509561 0.2165284 -0.7261723 ] [ 2.5204652 -1.5325898 1.0582415 ] [ -1.8854201 -0.3075177 0.0169396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.289685348810192e-09 1.74004391901984e-11 2.532696288858342e-09 ] [ -1.210111504712598e-09 -3.723195709773389e-10 -7.230839383514208e-10 ] [ 2.204124150511947e-09 1.847712430984869e-09 1.069130856883219e-09 ] [ -2.308435782021076e-09 9.055636843597748e-10 -3.441122421968838e-09 ] [ 4.921888181274221e-10 2.02903652699664e-10 3.20563498289664e-12 ] [ -2.484905603307147e-09 3.469167402192307e-10 -1.163456281732564e-09 ] [ 4.038230416979996e-09 -2.455479546836548e-09 1.695489790460323e-09 ] [ -3.020776004606398e-09 -4.926976694221882e-10 2.714023108570368e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.791719 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.894683202084316e-18 } }