{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1543189 -1.5297122 3.1724489 ] [ -2.1361981 1.2410034 -0.5391752 ] [ 1.2917499 1.2158429 2.0915241 ] [ -2.6024663 -0.93691 -4.1552339 ] [ 0.7486865 0.8043479 1.8841593 ] [ -2.0099942 1.6443798 -2.7780861 ] [ 1.4803566 -1.500715 0.2635559 ] [ 2.0735467 -0.9382368 0.0608069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.849422754527573e-09 -2.450869123392534e-09 5.082823458262677e-09 ] [ -3.42256665321738e-09 1.988306633813311e-09 -8.638538999551641e-10 ] [ 2.069611489700738e-09 1.947995068945672e-09 3.350991014859761e-09 ] [ -4.169610662279879e-09 -1.501095297793728e-09 -6.657418608535605e-09 ] [ 1.199528006608579e-09 1.288707400369576e-09 3.018755980322894e-09 ] [ -3.2203657151836e-09 2.63458687127578e-09 -4.450984599989451e-09 ] [ 2.371792734966977e-09 -2.404410487483872e-09 4.222631012539027e-10 ] [ 3.322188044876992e-09 -1.503221065734206e-09 9.742339356332352e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.564486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.698058799996891e-18 } }