{ "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" [ [ 3.8638575 0.1432913 4.1901423 ] [ -1.1152286 -1.3221147 -0.9094871 ] [ 3.4425607 2.6283243 1.2583125 ] [ -4.520821 2.1921852 -7.90938 ] [ 0.6727103 -0.1399978 -0.1421391 ] [ -5.233011 1.7444579 -1.3743954 ] [ 7.0827777 -4.6892028 4.4743182 ] [ -4.1928456 -0.5569434 0.4126287 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.190582203605654e-09 2.295779727154842e-10 6.713348086195017e-09 ] [ -1.786793204488532e-09 -2.11826127980792e-09 -1.457158980544421e-09 ] [ 5.515590314666683e-09 4.211039780034406e-09 2.016038885770124e-09 ] [ -7.243153772696513e-09 3.512267904840617e-09 -1.267222382542692e-08 ] [ 1.07780072411113e-09 -2.243012039714052e-10 -2.277319447977894e-10 ] [ -8.384207949664974e-09 2.794929686376709e-09 -2.202024195757083e-09 ] [ 1.134786093475626e-08 -7.512931158247374e-09 7.168648073120939e-09 ] [ -6.717679250289711e-09 -8.923217019405155e-10 6.611040616577958e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.957819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.600860077740125e-18 } }