{ "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" [ [ 2.8157696 -3.3717776 4.0524456 ] [ -1.9246517 1.468415 -0.618706 ] [ -0.7087932 -0.6377032 -0.2079804 ] [ -1.209606 2.172309 -2.0904417 ] [ 0.2045501 0.3326382 1.8431593 ] [ -3.1794584 3.3265517 -3.6488267 ] [ 1.7232026 -2.3998734 0.6260195 ] [ 2.2789869 -0.8905597 0.0443304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.511360259847525e-09 -5.402183285764598e-09 6.49273365087611e-09 ] [ -3.083631982328378e-09 2.35266020201511e-09 -9.912762965156038e-10 ] [ -1.135611903378089e-09 -1.021713166467029e-09 -3.332213372099736e-10 ] [ -1.938002469546204e-09 3.480422721627905e-09 -3.349256846479237e-09 ] [ 3.277253907023634e-10 5.329451516158188e-10 2.953066763199796e-09 ] [ -5.094053957255025e-09 5.329723405532977e-09 -5.846064880255327e-09 ] [ 2.760874941368048e-09 -3.845021086038135e-09 1.002993815328363e-09 ] [ 3.651339560372094e-09 -1.42683394252205e-09 7.10251310558736e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -33.611722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.385191561690374e-18 } }