{ "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" [ [ 1.938434 -2.0753719 2.9782866 ] [ -1.6529894 1.0399933 -0.6497012 ] [ 0.4713119 0.391346 1.1238234 ] [ -1.8385081 0.4869407 -2.7963264 ] [ 0.436868 0.4252401 1.625233 ] [ -2.3210777 2.0295304 -2.6712941 ] [ 1.4036471 -1.5917049 0.5494102 ] [ 1.5623142 -0.7059737 -0.1594314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.105713635763827e-09 -3.325112337645276e-09 4.771741160561922e-09 ] [ -2.64838097111022e-09 1.66625295104864e-09 -1.040936073145705e-09 ] [ 7.551249072848275e-10 6.270054118435968e-10 1.800563577387967e-09 ] [ -2.945614694971429e-09 7.801650052559866e-10 -4.480208782205829e-09 ] [ 6.999396959756543e-10 6.813097464466542e-10 2.603910315952646e-09 ] [ -3.718776426000237e-09 3.251666158082873e-09 -4.279884954300978e-09 ] [ 2.24889056747372e-09 -2.550192377992802e-09 8.802521776690521e-10 ] [ 2.503103285583856e-09 -1.131094557039673e-09 -2.554372617014131e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.574364 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.097464809262917e-18 } }