{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1831025 0.1408963 1.4786695 ] [ -0.2067507 -0.4851929 -0.1686297 ] [ 1.2584919 1.2257351 0.4948959 ] [ -1.3815846 0.5327147 -2.8045582 ] [ 0.151775 -0.0521781 -0.2527669 ] [ -1.8847565 0.715972 -0.4380605 ] [ 2.58678 -1.7664257 1.308856 ] [ -1.7070578 -0.3115214 0.3815941 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.895539165510032e-09 2.25740757817223e-10 2.369089702790026e-09 ] [ -3.312511378740346e-10 -7.773647209581524e-10 -2.701745629125177e-10 ] [ 2.016326299646172e-09 1.96384412051395e-09 7.929106407097747e-10 ] [ -2.21354254577732e-09 8.535030378964857e-10 -4.49339757971293e-09 ] [ 2.4317035662192e-10 -8.359853193776448e-11 -4.049772176920916e-10 ] [ -3.019712800200835e-09 1.147113599547418e-09 -7.018502915959585e-10 ] [ 4.144478439153024e-09 -2.830125958920275e-09 2.097018483193805e-09 ] [ -2.735008097514282e-09 -4.991123039588851e-10 6.113811456552173e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.002811 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.768286206728107e-18 } }