{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0558823 0.084071 -0.2321094 ] [ -0.0528057 0.4833984 -0.1916512 ] [ -0.1459533 -0.0018798 0.1780781 ] [ 0.2456579 -0.1930139 -0.0548953 ] [ 0.0590914 0.2140671 0.8419564 ] [ -0.3430878 0.0698294 -0.2315799 ] [ -0.1903302 -0.4430415 -0.4707363 ] [ 0.3715454 -0.2134308 0.1609375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.953331457653185e-11 1.346965906872768e-10 -3.718802541479155e-10 ] [ -8.460405798497856e-11 7.744896150121267e-10 -3.07059071988265e-10 ] [ -2.338429649886087e-10 -3.01177161177984e-12 2.853125684964845e-10 ] [ 3.935873440948244e-10 -3.092423580694291e-10 -8.795196625180225e-11 ] [ 9.467485957034112e-11 3.429733029024557e-10 1.348962859812933e-09 ] [ -5.496872520417063e-10 1.118790321244915e-10 -3.710319016272019e-10 ] [ -3.049425966721882e-10 -7.098307333441632e-10 -7.54202694421895e-10 ] [ 5.952813534457844e-10 -3.419538379186407e-10 2.5785029991e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 149.19409 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.390352829595311e-17 } }