{ "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" [ [ -0.8382373999999999 -0.09579449999999999 0.38444799999999996 ] [ 1.4922314999999997 1.2973345999999997 -2.3958895999999994 ] [ -2.7130450999999995 0.7679015999999999 -1.4741058999999999 ] [ 0.5422469999999999 1.4700384999999998 0.09215599999999999 ] [ 0.12532299999999996 0.30079799999999995 1.6933456999999998 ] [ -0.6085652999999999 -0.30816419999999994 -0.33572709999999995 ] [ 0.5973075999999999 -2.1605166999999996 2.1122936999999995 ] [ 1.4027386999999998 -1.2715971999999998 -0.07652069999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.343004376024911e-09 -1.53479709565713e-10 6.159536025880319e-10 ] [ 2.39081844181877e-09 2.078559182599736e-09 -3.838638334763605e-09 ] [ -4.346777466208192e-09 1.230314000731214e-09 -2.36177802902154e-09 ] [ 8.687754732565978e-10 2.355261335780408e-09 1.47650189882904e-10 ] [ 2.007895823027819e-10 4.819315271539319e-10 2.713038913824373e-09 ] [ -9.750291039231998e-10 -4.937334806753026e-10 -5.378941150205812e-10 ] [ 9.569922800306181e-10 -3.461529374106787e-09 3.384267610285404e-09 ] [ 2.247435168747535e-09 -2.037323321699824e-09 -1.225996775573238e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.51155929230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.529361390103421e-18 } }