{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45158e-10 0.0 0.0 ] "source-value" [ 5.45158 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] "source-value" [ -0.0257054 5.42445 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] "source-value" [ -0.0529382 0.0294769 5.34001 ] } "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" [ [ 3.626536394240525e-10 1.048882548749549e-10 6.562949628661038e-10 ] [ -3.599161604497537e-10 5.114915216194963e-10 -9.801501330232013e-10 ] [ -4.442053907287449e-10 -1.71316740620592e-10 -3.328427401291372e-10 ] [ 4.451500340643686e-10 -6.348948499597403e-10 2.242528163894861e-10 ] [ 7.910189507735963e-10 -3.191133682301779e-10 3.008086605552e-11 ] [ -7.533274253339521e-10 5.225104913290484e-10 8.87373532313184e-11 ] [ -7.167643128883373e-10 -6.634469190836928e-10 -3.782205476894074e-10 ] [ 6.753905049211085e-10 6.498816100707033e-10 6.918475825169799e-10 ] ] "source-value" [ [ 0.2263506 0.0654661 0.4096271 ] [ -0.224642 0.3192479 -0.6117616 ] [ -0.2772512 -0.1069275 -0.2077441 ] [ 0.2778408 -0.3962702 0.1399676 ] [ 0.4937152 -0.1991749 0.018775 ] [ -0.47019 0.3261254 0.0553855 ] [ -0.4473691 -0.414091 -0.2360667 ] [ 0.4215456 0.4056242 0.4318173 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.465398301860597e-17 "source-value" 153.87806 } }