{ "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" [ [ 0.10470839999999998 5.6756101999999995 -1.8002723999999999 ] [ -0.17050299999999996 -5.027460099999999 -0.8027603999999999 ] [ -0.41701749999999993 4.644425099999999 -0.2538908999999999 ] [ -0.6531848999999998 -2.9648284999999994 0.7485608999999999 ] [ -0.7144898999999999 0.2935421999999999 -3.0253660999999994 ] [ -0.7642126999999999 -1.3459543999999999 5.799069199999999 ] [ 5.087202399999999 3.1595752999999998 -3.1917048999999995 ] [ -2.4725028999999994 -4.434909899999999 2.5263644999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.677613504813747e-10 9.093329971214012e-09 -2.884354350351506e-09 ] [ -2.731759203762623e-10 -8.054879034224829e-09 -1.286163944984056e-09 ] [ -6.681356889644639e-10 7.441189312276701e-09 -4.067780642138706e-10 ] [ -1.046517575839586e-09 -4.750178907381532e-09 1.199326773225007e-09 ] [ -1.14473901357773e-09 4.703064500581976e-10 -4.847170834780874e-09 ] [ -1.224403721258444e-09 -2.156456672342892e-09 9.291133094641358e-09 ] [ 8.150596750557648e-09 5.062197677317146e-09 -5.113674971272801e-09 ] [ -3.961386341240199e-09 -7.105508957134464e-09 4.047682137519081e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.447759 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.718051100475279e-18 } }