{ "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" [ [ -0.6000543999999999 -0.20000269999999998 0.33110789999999996 ] [ 0.9677990999999999 0.8134798999999999 -1.9364129999999997 ] [ -2.2765307999999997 0.29857719999999993 -1.1363228999999997 ] [ 0.39406119999999994 1.7353711999999997 0.08553709999999999 ] [ 0.18019899999999997 0.26234419999999997 1.4761941999999997 ] [ -0.5921075999999998 -0.24145349999999996 -0.15978739999999997 ] [ 0.8955125999999999 -1.6838306999999997 1.7065438999999998 ] [ 1.0311208999999997 -0.9844855999999998 -0.36685989999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613931388088893e-10 -3.204396526769117e-10 5.304933407128085e-10 ] [ 1.550585104426229e-09 1.303338488008656e-09 -3.102475662373841e-09 ] [ -3.647404454341327e-09 4.783734132851447e-10 -1.820589999059118e-09 ] [ 6.313556470060006e-10 2.78037118795654e-09 1.370455429601214e-10 ] [ 2.887106272701659e-10 4.203217473054227e-10 2.365123854486322e-09 ] [ -9.48660961533818e-10 -3.868511558975189e-10 -2.560076386876115e-10 ] [ 1.434769363172588e-09 -2.697794203151863e-09 2.734184761475232e-09 ] [ 1.65203781280905e-09 -1.57731982482947e-09 -5.877743597315765e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.84842907419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.141374908827372e-18 } }