{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.10684509999999998 -0.9860511999999999 2.6162315999999994 ] [ 2.5143636999999996 -3.3136972999999994 -5.817823799999999 ] [ -1.1689879999999997 0.8867784999999999 7.202245099999999 ] [ -1.9221097999999999 0.5892833999999999 -1.7671157999999998 ] [ -3.0331938999999997 -6.792652899999999 -5.730473899999999 ] [ 5.613859199999999 7.234830999999999 4.217079899999999 ] [ 0.34844039999999993 -2.9105504999999994 1.1209746999999999 ] [ -2.2455264999999995 5.292058999999999 -1.8411178999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.711847212670381e-10 -1.579828179551785e-09 4.191665104118177e-09 ] [ 4.028454736328184e-09 -5.309128342468083e-09 -9.321181276293814e-09 ] [ -1.87292524359575e-09 1.420775780528093e-09 1.153926871649136e-08 ] [ -3.079559384170564e-09 9.441360865055345e-10 -2.831231621006289e-09 ] [ -4.859712352933173e-09 -1.088302966958932e-08 -9.181231308684595e-09 ] [ 8.994393962702991e-09 1.159147708363908e-08 6.756506823825601e-09 ] [ 5.582630626222002e-10 -4.663215964757749e-09 1.795999456848294e-09 ] [ -3.597730059686851e-09 8.478813205694226e-09 -2.949796055516392e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.768062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.570457608692489e-18 } }