{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9665425 1.2547785 1.3102303 ] [ 1.1308125 -1.0188052 -0.5415353 ] [ 1.6276962 3.4518034 -2.5054267 ] [ 0.8496866 -0.7166385 -1.0559502 ] [ 0.2578532 1.2556856 0.3954357 ] [ -2.3958585 -3.76145 1.6929509 ] [ -2.5972339 -1.8196136 -0.7699043 ] [ 2.0935864 1.3542397 1.4741995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.548571809267945e-09 2.010376793545569e-09 2.09922037181881e-09 ] [ 1.811761364935125e-09 -1.632305886037697e-09 -8.676352041461802e-10 ] [ 2.60785681889059e-09 5.530398752641755e-09 -4.014136116939727e-09 ] [ 1.361348016742904e-09 -1.148181459724809e-09 -1.691818737107627e-09 ] [ 4.131263720421288e-10 2.01183012797027e-09 6.335578387894338e-10 ] [ -3.838588507070289e-09 -6.026507299959299e-09 2.71240637448927e-09 ] [ -4.161227467612692e-09 -2.915342392828622e-09 -1.233522679876126e-09 ] [ 3.354295211340177e-09 2.16973120417517e-09 2.361927992754483e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.785796 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.733516618029066e-18 } }