{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5589432999999997 5.189611599999999 -3.9829710999999994 ] [ 4.161306399999999 -19.255362399999996 4.268980299999999 ] [ -5.776105199999999 19.516328199999997 1.3132998999999999 ] [ 2.0718342999999995 -3.8512434999999994 -1.3599218999999998 ] [ -4.392999399999999 1.4539956999999997 -4.586104799999999 ] [ -0.6867642999999999 -5.063962299999999 6.183126399999999 ] [ 7.819683199999999 10.066311899999999 -7.0641023999999994 ] [ -0.6380115999999999 -8.055679099999999 5.227693599999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.099879129212801e-09 8.31467437655248e-09 -6.381423177742058e-09 ] [ 6.667147826065412e-09 -3.085049146231137e-08 6.839660431315768e-09 ] [ -9.254340710721307e-09 3.126860476589974e-08 2.104138395878978e-09 ] [ 3.319444477631533e-09 -6.170372296707964e-09 -2.178835074293915e-09 ] [ -7.038360933868426e-09 2.32955791728373e-09 -7.347749891098659e-09 ] [ -1.100317705460077e-09 -8.113362005672595e-09 9.906460561531268e-09 ] [ 1.252851360510253e-08 1.612800958386083e-08 -1.131793971221717e-08 ] [ -1.022207269319201e-09 -1.290662071868718e-08 8.375688466625787e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.569456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.923252193774285e-19 } }