{ "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" [ [ 1.7412727 0.3650345 2.1273235 ] [ -0.5853368 -0.6657769 -0.3113002 ] [ 2.1943185 1.98316 1.1683643 ] [ -1.6678952 -0.2674577 -3.5575603 ] [ 0.193262 -0.0293571 -0.4146231 ] [ -2.4642327 0.7545431 -0.4339308 ] [ 3.0689112 -1.7770804 1.0230735 ] [ -2.4802996 -0.3630655 0.3986531 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.789826433362091e-09 5.84849746503873e-10 3.408348004659099e-09 ] [ -9.378129439803312e-10 -1.066692192636955e-09 -4.987579065995268e-10 ] [ 3.515685828253929e-09 3.17737261348344e-09 1.871925981459766e-09 ] [ -2.672262717400756e-09 -4.285144775233818e-10 -5.699839986706029e-09 ] [ 3.09639860640108e-10 -4.70352596620014e-11 -6.642994427366454e-10 ] [ -3.948136052678732e-09 1.208911324165925e-09 -6.952337885329272e-10 ] [ 4.9169378164609e-09 -2.847196693619373e-09 1.639144456564599e-09 ] [ -3.973878064439546e-09 -5.816950607115269e-10 6.387126818916654e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.033757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.773244350063393e-18 } }