{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40534e-10 0.0 0.0 ] "source-value" [ 5.40534 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] "source-value" [ 0.0241155 5.39517 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] "source-value" [ -0.0520891 0.00914509 5.32386 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.148516285010207e-09 3.003645371959142e-10 2.415619475340651e-09 ] [ -3.473949899405395e-10 -9.129825632023892e-10 -3.667835700994887e-10 ] [ 2.034150033899585e-09 1.896722052509169e-09 8.451834153576577e-10 ] [ -2.131621492761532e-09 4.290230048523821e-10 -4.525482127850423e-09 ] [ 1.073379829281581e-10 -2.056819871777933e-10 -6.497040889011187e-10 ] [ -3.186241916643152e-09 1.378265869119055e-09 -3.377002192080787e-10 ] [ 3.96785512934668e-09 -2.466657292249221e-09 1.995630663799974e-09 ] [ -2.592600871621743e-09 -4.190537812647782e-10 6.232362913431647e-10 ] ] "source-value" [ [ 1.3409984 0.1874728 1.5077111 ] [ -0.2168269 -0.5698389 -0.2289283 ] [ 1.2696166 1.1838408 0.527522 ] [ -1.3304535 0.2677751 -2.8245838 ] [ 0.0669951 -0.1283766 -0.4055134 ] [ -1.9886958 0.8602459 -0.2107759 ] [ 2.4765404 -1.5395664 1.2455747 ] [ -1.6181742 -0.2615528 0.3889935 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.626562929866266e-18 "source-value" -41.359753 } }