{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46497e-10 0.0 0.0 ] "source-value" [ 5.46497 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] "source-value" [ 0.00264453 5.45437 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] "source-value" [ -0.00434361 0.134648 5.52148 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.044887981829849e-09 -2.123035268033003e-09 -5.99843679547642e-09 ] [ -1.122974245272472e-09 -1.025080452653282e-09 4.466514497974865e-09 ] [ 1.863901784867405e-10 -1.546499381050579e-09 -5.291879469186213e-09 ] [ -9.207912516168442e-09 -8.509470054244924e-09 2.017966800331741e-08 ] [ 1.055964650066471e-08 8.212324770533183e-09 -1.462136386559966e-08 ] [ -2.863061262843412e-09 1.268805002168337e-09 7.275870159618413e-09 ] [ 6.177115057016601e-10 1.092328772175782e-10 -1.044915976002369e-08 ] [ -2.146881423986342e-10 3.613722345845029e-09 4.4387872293753e-09 ] ] "source-value" [ [ 1.2763187 -1.3250944 -3.7439298 ] [ -0.7009054 -0.6398049 2.7877791 ] [ 0.1163356 -0.965249 -3.3029314 ] [ -5.747127 -5.3111935 12.5951582 ] [ 6.590813 5.12573 -9.1259376 ] [ -1.7869823 0.7919258 4.541241 ] [ 0.3855452 0.0681778 -6.5218526 ] [ -0.1339978 2.2555081 2.7704731 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.470565741609498e-18 "source-value" -34.144586 } }