{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5537119 0.1937191 -3.1155818 ] [ 0.539764 0.0420827 0.1170784 ] [ -1.0224537 2.6241723 -3.9047619 ] [ -0.6115974 0.0335038 4.435255 ] [ 0.789989 -0.221015 -2.6374794 ] [ -0.2377688 -1.8886173 5.2693853 ] [ -0.54864 -0.0519648 -2.0698125 ] [ 1.6444187 -0.7318808 1.9059169 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.871442681477446e-10 3.103722155795094e-10 -4.991712361275661e-09 ] [ 8.64797268674376e-10 6.742391863563179e-11 1.875802768261056e-10 ] [ -1.638151427486846e-09 4.204387542650038e-09 -6.256118277513445e-09 ] [ -9.798870636951514e-10 5.36790055102092e-11 7.106061926831669e-09 ] [ 1.265701916917026e-09 -3.541050687635099e-10 -4.22570786733634e-09 ] [ -3.809476156542192e-10 -3.025898508628168e-09 8.442486003203078e-09 ] [ -8.790181884777599e-10 -8.325678835048318e-11 -3.316205224261124e-09 ] [ 2.634649217652655e-09 -1.172602316633227e-09 3.053615523525714e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.449709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.67966954418995e-18 } }