{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.35419e-10 0.0 0.0 ] "source-value" [ 5.35419 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] "source-value" [ 0.128546 5.3923 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] "source-value" [ 0.0752915 -0.0875116 5.49588 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.95819724901394e-09 9.443036741800705e-10 2.293010185733675e-09 ] [ -9.781762514263756e-10 -1.089238173474259e-10 1.286380559263189e-09 ] [ -4.575468756678087e-10 -2.330745450595068e-09 -3.422148645337014e-09 ] [ 4.287121986097132e-09 -1.008681053415759e-09 1.661162996142021e-09 ] [ -8.930383481913466e-10 3.477078950345817e-10 1.676293311278208e-10 ] [ 1.878712946420728e-09 -1.597336765663887e-09 -8.634001635361537e-10 ] [ -3.388541708974437e-09 1.728660454129056e-09 -2.026602980927307e-09 ] [ 1.509665500756049e-09 2.025015063678432e-09 9.039687175337684e-10 ] ] "source-value" [ [ -1.2222105999999995 0.5893879999999998 1.4311843999999996 ] [ -0.6105295999999998 -0.06798489999999997 0.8028955999999998 ] [ -0.2855782999999999 -1.4547368999999997 -2.135937199999999 ] [ 2.6758110999999993 -0.6295691999999998 1.0368163999999995 ] [ -0.5573906999999998 0.21702219999999992 0.10462599999999996 ] [ 1.1726003999999997 -0.9969791999999996 -0.5388919999999998 ] [ -2.114961399999999 1.0789449999999996 -1.2649060999999995 ] [ 0.9422590999999997 1.2639149999999995 0.5642128999999998 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.25511e-13 1.60353e-12 -6.7451e-12 ] [ 1.37153e-10 1.32836e-10 1.3623e-10 ] [ 3.05896e-12 2.71279e-10 2.89841e-10 ] [ 1.38735e-10 4.027860000000001e-10 4.05412e-10 ] [ 2.7178e-10 -6.21827e-12 2.7228e-10 ] [ 3.99586e-10 1.31169e-10 4.14487e-10 ] [ 2.78113e-10 2.65016e-10 1.1239e-11 ] [ 4.13075e-10 3.95144e-10 1.3393e-10 ] ] "source-value" [ [ 0.00225511 0.0160353 -0.067451 ] [ 1.37153 1.32836 1.3623 ] [ 0.0305896 2.71279 2.89841 ] [ 1.38735 4.02786 4.05412 ] [ 2.7178 -0.0621827 2.7228 ] [ 3.99586 1.31169 4.14487 ] [ 2.78113 2.65016 0.11239 ] [ 4.13075 3.95144 1.3393 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.806432429892735e-18 "source-value" -36.240901 } }