{ "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" [ [ -1.2698451999999998 2.3610661999999993 -1.8138075999999999 ] [ 0.5252089999999999 -4.507130699999999 -0.8268344999999999 ] [ -2.1739786999999997 2.5200146999999995 0.17334849999999996 ] [ 2.4827446999999996 -0.6027840999999999 0.6175667999999999 ] [ -0.8207255999999999 -1.0680900999999998 -0.36271149999999996 ] [ -0.6668342999999999 1.3179048999999998 4.8005873999999995 ] [ 4.016695299999999 1.4487182999999997 -2.5574711999999997 ] [ -2.0932651999999994 -1.4696991999999998 -0.030677899999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0345162914751e-09 3.782845065801096e-09 -2.906040131349358e-09 ] [ 8.414775808337471e-10 -7.221219434429937e-09 -1.324734905170858e-09 ] [ -3.483097847257177e-09 4.037508636412325e-09 2.777349139507487e-10 ] [ 3.977795513755109e-09 -9.657665924099692e-10 9.894510887422692e-10 ] [ -1.314947368412052e-09 -1.711268987127934e-09 -5.811278853952992e-10 ] [ -1.068386325407533e-09 2.111516419217762e-09 7.691388898387058e-09 ] [ 6.435455302537241e-09 2.32110259038512e-09 -4.09752056500932e-09 ] [ -3.353780564574235e-09 -2.354717697848463e-09 -4.915141415524032e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 669.24655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.072251175961058e-16 } }