{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] "source-value" [ 5.4207 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] "source-value" [ -0.121917 5.37017 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] "source-value" [ -0.0328689 -0.300504 5.4102 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.433481321228918e-09 1.527999960850875e-08 -9.825444417870911e-09 ] [ -2.044368716387048e-09 -2.475486567171126e-08 3.48181017790704e-09 ] [ -3.68487452892177e-09 1.463472858209973e-08 1.907951067573708e-09 ] [ 1.216439621711772e-09 -5.962316845084119e-09 1.120045626627312e-09 ] [ -3.272573761896002e-09 -9.818415508817798e-10 -6.489103866249407e-09 ] [ -1.39609280772571e-09 -3.354309923729749e-09 1.545098005225664e-08 ] [ 1.534041304256692e-08 1.385509966514106e-08 -1.723666213253763e-08 ] [ -9.59242401035942e-09 -8.7164940245603e-09 1.159042349229325e-08 ] ] "source-value" [ [ 2.1430104999999995 9.537025699999997 -6.132560099999999 ] [ -1.2759945999999998 -15.450771999999999 2.1731749999999996 ] [ -2.2999177999999993 9.134279199999998 1.1908493999999998 ] [ 0.7592418999999999 -3.7213854999999993 0.6990774999999999 ] [ -2.0425798999999993 -0.6128172999999999 -4.0501800999999995 ] [ -0.8713725999999999 -2.0935955999999996 9.643743299999999 ] [ 9.574732799999998 8.647673099999999 -10.758278399999998 ] [ -5.987120199999999 -5.440407699999999 7.2341733999999995 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.393399167884658e-18 "source-value" -27.421441 } }