{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9950841 2.1489272 -12.9490509 ] [ 1.5075737 0.740464 -6.6559544 ] [ 3.1828191 11.1506027 1.7632556 ] [ 0.1915652 -3.2832055 1.8990414 ] [ 0.6609701 -3.9085423 8.2885961 ] [ -6.2944662 -3.0756019 14.2438818 ] [ -0.8697839 0.2529314 -9.9677747 ] [ 0.6262378 -4.0255756 3.3780051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.594300493884919e-09 3.442960948007045e-09 -2.074666678445667e-08 ] [ 2.415399356172926e-09 1.186354119118176e-09 -1.066401461664949e-08 ] [ 5.099438392268909e-09 1.786523510095731e-08 2.82504692208965e-09 ] [ 3.069212873275368e-10 -5.260275136720287e-09 3.042599758078647e-09 ] [ 1.058990849992643e-09 -6.262175146060617e-09 1.327979500008353e-08 ] [ -1.008484666914277e-08 -4.927657499666005e-09 2.282121459741786e-08 ] [ -1.393547441209392e-09 4.052407790849076e-10 -1.597013571731636e-08 ] [ 1.003343570487565e-09 -6.449683164720529e-09 5.412160840752834e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -301.72041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.834093909029e-17 } }