{ "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" [ [ 3.3617799 -3.6036965 4.853906 ] [ -2.5548701 1.7546191 -0.9893293 ] [ 0.5772641 0.3790673 1.604219 ] [ -2.8320905 1.0460137 -4.2706356 ] [ 0.6009183 0.5393857 2.420825 ] [ -3.6955502 3.5333306 -4.5411644 ] [ 2.2133841 -2.4596228 1.1182694 ] [ 2.3291645 -1.1890971 -0.1960901 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.386165204430857e-09 -5.77375832832758e-09 7.776814776832404e-09 ] [ -4.093353177125243e-09 2.811209723590109e-09 -1.585080287791576e-09 ] [ 9.248790526670392e-10 6.073327707734681e-10 2.570242197618846e-09 ] [ -4.537509224473376e-09 1.675898708983886e-09 -6.84231257064857e-09 ] [ 9.62777259203002e-10 8.641911652537337e-10 3.878589250003049e-09 ] [ -5.920924180214026e-09 5.6610197275172e-09 -7.275747492832629e-09 ] [ 3.546232287087119e-09 -3.940750178613655e-09 1.791665103197199e-09 ] [ 3.731732938642292e-09 -1.905143589177161e-09 -3.141709763787234e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.989623 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.605955640306898e-18 } }