{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4742074 3.32356 -4.2196918 ] [ 0.3608255 0.5668358 0.6241522 ] [ 0.7785017 1.9723386 -1.6353601 ] [ -1.1501289 -1.772048 1.2327416 ] [ 1.3397943 0.9172168 0.8152179 ] [ -0.4482861 -2.7327683 -0.3699015 ] [ -1.031976 1.0854534 0.6773477 ] [ -2.3229378 -3.3605882 2.8754941 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.964117251290354e-09 5.324930129826049e-09 -6.76069154894147e-09 ] [ 5.781061802884704e-10 9.081710665924646e-10 1.000002062660886e-09 ] [ 1.247297222993055e-09 3.160034793221403e-09 -2.62013571880915e-09 ] [ -1.842709634486421e-09 -2.839133876535398e-09 1.975069771007585e-09 ] [ 2.146587104141102e-09 1.469543313164989e-09 1.306123060237673e-09 ] [ -7.182335088496109e-10 -4.378377480323361e-09 -5.926475352988513e-10 ] [ -1.653407820426701e-09 1.739088060447871e-09 1.085230649092652e-09 ] [ -3.721756634732586e-09 -5.384255846176355e-09 4.607049420268337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.707363 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.720950218901896e-18 } }