{ "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" [ [ 1.8927026 0.2515813 2.2768075 ] [ -0.4404621 -0.7573144 -0.3463495 ] [ 1.9954336 1.8716142 0.8717192 ] [ -2.0470347 0.5253627 -4.1136526 ] [ 0.206192 -0.0856218 -0.3899509 ] [ -2.8290277 1.0480017 -0.5586412 ] [ 3.7513459 -2.4366521 1.7812193 ] [ -2.5291495 -0.4169715 0.4788483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.032443855847374e-09 4.030776770904711e-10 3.647847746562096e-09 ] [ -7.056980789684717e-10 -1.21335142627518e-09 -5.549130715257696e-10 ] [ 3.197037062278779e-09 2.998656514397295e-09 1.39664812214248e-09 ] [ -3.279711138306342e-09 8.417238353803641e-10 -6.590798021813134e-09 ] [ 3.303560017959936e-10 -1.371812461908134e-10 -6.247702152399187e-10 ] [ -4.532602040535597e-09 1.679083822298655e-09 -8.95041870055657e-10 ] [ 6.010318697513935e-09 -3.903947027643223e-09 2.853827918977741e-09 ] [ -4.052144199408009e-09 -6.680619888399073e-10 7.671995511698247e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.792002 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734510881602684e-18 } }