{ "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" [ [ 9.917763276720365e-10 -2.758194957788162e-09 1.899072285394221e-09 ] [ -1.102461545952837e-08 6.367592708498327e-09 1.115878205018949e-09 ] [ 2.057687931071083e-09 -2.213462917599266e-09 -2.15161457415951e-09 ] [ 1.270207227146861e-10 8.413277773197023e-10 -1.232618561446272e-11 ] [ 5.590695823113448e-09 -3.460611618819573e-09 8.992681235895356e-09 ] [ -1.648446840738056e-09 2.438277296894342e-09 -5.318268279436763e-09 ] [ -2.718486612418255e-09 -3.460987809890137e-09 -9.758870614705767e-09 ] [ 6.62436794789577e-09 2.246059521384766e-09 5.233447767390313e-09 ] ] "source-value" [ [ 0.6190181 -1.7215299 1.1853077 ] [ -6.8810238 3.9743388 0.6964764 ] [ 1.2843078 -1.3815349 -1.3429322 ] [ 0.0792801 0.5251155 -0.0076934 ] [ 3.4894379 -2.1599439 5.6127902 ] [ -1.0288796 1.521853 -3.319402 ] [ -1.6967459 -2.1601787 -6.091008 ] [ 4.1346053 1.4018801 3.2664612 ] ] } "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" -2.789316437558892e-18 "source-value" -17.409544 } }