{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] "source-value" [ 5.42386 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] "source-value" [ -0.00583756 5.42008 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] "source-value" [ 0.133978 0.025245 5.31918 ] } "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" [ [ 4.000401104350964e-10 4.446842813207022e-10 -3.927399528800832e-11 ] [ -1.321952725468838e-10 -2.787514950166464e-11 7.219616136285504e-11 ] [ -7.974978325927872e-11 7.65808381209984e-12 -1.984643417187514e-10 ] [ 8.804649467242944e-11 -1.969504450297575e-10 -1.13430099311088e-10 ] [ -1.052211871767571e-10 -3.241395565072896e-11 -1.049012325055834e-10 ] [ -7.731078978943489e-11 -1.314553873833984e-11 -2.440949727497837e-10 ] [ 1.265719530432e-12 1.890116598736935e-10 1.70990377242935e-10 ] [ -9.487545208326529e-11 -3.709689360860045e-10 4.569782631850868e-10 ] ] "source-value" [ [ 0.24968540000000006 0.2775501000000001 -0.024512900000000008 ] [ -0.08250980000000001 -0.017398300000000002 0.045061300000000006 ] [ -0.04977590000000001 0.004779800000000001 -0.12387170000000003 ] [ 0.05495430000000001 -0.12292680000000003 -0.07079750000000001 ] [ -0.06567390000000001 -0.020231200000000005 -0.06547420000000001 ] [ -0.048253600000000015 -0.008204800000000002 -0.15235210000000002 ] [ 0.0007900000000000002 0.11797180000000003 0.10672380000000002 ] [ -0.059216600000000015 -0.23154060000000007 0.28522340000000007 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 5.063824847893231e-18 "source-value" 31.605909 } }