{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] "source-value" [ 5.37283 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] "source-value" [ -0.256601 5.36059 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] "source-value" [ 0.0433697 -0.246629 5.47376 ] } "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" [ [ 2.176474106825504e-09 3.222988798747174e-09 -4.097629673237197e-09 ] [ 3.461819820209319e-10 5.835398020802515e-10 6.393218241806726e-10 ] [ 6.769449366786086e-10 2.148525577634608e-09 -1.769799543221338e-09 ] [ -1.206496353385425e-09 -1.964628385969832e-09 1.301026215971583e-09 ] [ 1.453731271876652e-09 1.01965676435655e-09 9.681565592752168e-10 ] [ -4.337739391860403e-10 -2.924590933353291e-09 -3.837144113221306e-10 ] [ -1.06121706568244e-09 1.144365065554435e-09 6.323610076339449e-10 ] [ -1.951844939147793e-09 -3.229856689049894e-09 2.71027818093691e-09 ] ] "source-value" [ [ 1.3584483 2.0116314 -2.5575393 ] [ 0.2160698 0.3642169 0.3990333 ] [ 0.4225158 1.3410042 -1.104622 ] [ -0.7530358 -1.2262246 0.8120367 ] [ 0.9073477 0.6364197 0.6042758 ] [ -0.2707404 -1.8253861 -0.2394957 ] [ -0.6623596 0.7142565 0.3946887 ] [ -1.2182458 -2.015918 1.6916226 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.502714256931604e-18 "source-value" -21.862223 } }