{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6772160999999999 -0.08085349999999998 0.22941849999999997 ] [ 1.0893551999999997 0.8953406999999999 -2.1267138999999995 ] [ -2.5883220999999996 0.38080339999999996 -1.3507200999999998 ] [ 0.41725139999999994 1.9418882999999998 0.12693339999999997 ] [ 0.25927219999999995 0.22946399999999997 1.6813877999999998 ] [ -0.6976780999999999 -0.30939549999999993 -0.18271009999999996 ] [ 0.9944755999999999 -1.9897782999999998 1.8842642999999997 ] [ 1.2028618999999998 -1.0674689999999998 -0.2618597999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.085019802649355e-09 -1.295415874098528e-10 3.675689570790048e-10 ] [ 1.745339433186908e-09 1.434493937190706e-09 -3.407371289710389e-09 ] [ -4.146949155719959e-09 6.101143046011507e-10 -2.164092165464638e-09 ] [ 6.685104380760691e-10 3.111248034465057e-09 2.033697258786547e-10 ] [ 4.153998572633816e-10 3.676418561152512e-10 2.693880223658346e-09 ] [ -1.117803540664164e-09 -4.957062366807263e-10 -2.9273385060403e-10 ] [ 1.593325556276052e-09 -3.187976272835169e-09 3.018924208868077e-09 ] [ 1.927197214231067e-09 -1.710273875228755e-09 -4.195456494873637e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.792479 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734587305427496e-18 } }