{ "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" [ [ -1.4539611 0.9823097 1.5208483 ] [ 1.7437754 -0.1893385 -1.6466003 ] [ 2.067914 2.0405742 -2.6251763 ] [ 1.0250281 0.2657103 -1.0642276 ] [ 0.0649521 1.5076545 0.2915646 ] [ -3.6362187 -4.3248454 1.0560709 ] [ -2.7251721 -2.7611293 -0.1756291 ] [ 2.9136823 2.4790646 2.6431495 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.329502501164937e-09 1.57383364869155e-09 2.436667610118622e-09 ] [ 2.793836200824004e-09 -3.03353720616609e-10 -2.63814452619739e-09 ] [ 3.313163491921475e-09 3.269360303183243e-09 -4.205996127990574e-09 ] [ 1.642276071013415e-09 4.257148340731302e-10 -1.705080593977898e-09 ] [ 1.040647369492314e-10 2.415528812044953e-09 4.671379894215564e-10 ] [ -5.825864637253856e-09 -6.929166245542384e-09 1.69201211982735e-09 ] [ -4.366207062248711e-09 -4.423816847912776e-09 -2.813888402704494e-10 ] [ 4.668233699959378e-09 3.971899376296556e-09 4.234792369068782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -327.84604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.252672648374294e-17 } }