{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7019986 -9.3216891 -5.8273498 ] [ 0.5789114 -3.5528869 16.739259 ] [ 5.11778 -1.4047305 6.2181844 ] [ -34.0485511 -41.2445659 26.3774406 ] [ 22.3317723 31.4162813 -36.7973116 ] [ 3.66563 7.3201082 3.0900933 ] [ 11.3075181 13.9944659 -7.6599415 ] [ -5.2510621 2.793017 -2.1403744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.931255607154331e-09 -1.493499234238619e-08 -9.336443610783557e-09 ] [ 9.27518310594597e-10 -5.692352327526588e-09 2.681924941931599e-08 ] [ 8.199587466397824e-09 -2.250626365624694e-09 9.962629669503276e-09 ] [ -5.455179254453412e-08 -6.608107922002491e-08 4.226131864586073e-08 ] [ 3.577944348008905e-08 5.033443141133623e-08 -5.895579235381264e-08 ] [ 5.872986686503104e-09 1.172810621976637e-08 4.950875241350721e-09 ] [ 1.811664113909284e-08 2.242160608556283e-08 -1.227257918799568e-08 ] [ -8.413128930988952e-09 4.474906538896954e-09 -3.429257823438828e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.425253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.952050958892507e-18 } }