{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6420397 0.0120773 -3.7226803 ] [ 0.7247233 0.8132322 2.1282238 ] [ -0.301208 0.9889514 0.738032 ] [ -0.24976 -0.7217005 0.2801614 ] [ -1.3970908 0.3383069 1.9385408 ] [ 0.7446624 0.8155998 0.9560796 ] [ -0.1258232 1.6859558 -2.2255533 ] [ -0.0375435 -3.9324231 -0.0928039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.028660996965446e-09 1.934996770238784e-11 -5.96439134337273e-09 ] [ 1.161134727809025e-09 1.30294161812175e-09 3.409790416190135e-09 ] [ -4.825884155979264e-10 1.584474812187429e-09 1.182457615802266e-09 ] [ -4.00159632811008e-10 -1.15629166831967e-09 4.488680451305971e-10 ] [ -2.238386216894769e-09 5.420274058353235e-10 3.105884748226928e-09 ] [ 1.193080687668818e-09 1.306734931489156e-09 1.531808382743816e-09 ] [ -2.015909893942426e-10 2.70119896646216e-09 -3.565729465604289e-09 ] [ -6.01513179630048e-11 -6.30043635391386e-09 -1.486882388990611e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.49015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.846366521948513e-18 } }