{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4177065 0.933912 -1.9876214 ] [ -1.0896399 -0.6566799 -1.2498411 ] [ -3.4362929 1.7833619 -3.919012 ] [ -0.8306029 2.7753358 2.8308067 ] [ 0.615438 -1.0077232 1.1021424 ] [ 0.7746323 -1.3929324 -1.1473021 ] [ -1.1616676 0.4003803 -0.2565784 ] [ 1.7104266 -2.8356546 4.627406 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.47576949616992e-09 1.496291984612208e-09 -3.184520564318368e-09 ] [ -1.745795587254097e-09 -1.052117191797456e-09 -2.002466206632857e-09 ] [ -5.505548191960099e-09 2.857260766145844e-09 -6.278949454765607e-09 ] [ -1.330772558512639e-09 4.446578170263697e-09 4.535452350110647e-09 ] [ 9.86040383275692e-10 -1.614550564579709e-09 1.765826800620681e-09 ] [ 1.241097771001678e-09 -2.231723744021542e-09 -1.838180616759131e-09 ] [ -1.861196685194858e-09 6.414799613739102e-10 -4.110839172691055e-10 ] [ 2.740405532692064e-09 -4.543219542214615e-09 7.413921769231403e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.312208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.497421791854787e-18 } }