{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9431318 -0.7296764 -0.9100763 ] [ 1.621047 0.9122628 1.1730664 ] [ -0.6421874 1.5712278 -1.3293705 ] [ -0.6636164 0.1581748 0.6132858 ] [ -0.8094238 -1.038559 -2.7682177 ] [ 1.4604323 -0.2948577 -1.2631907 ] [ -0.5749999 0.3469776 3.4978553 ] [ 0.55188 -0.9255499 0.9866478 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.511063720293021e-09 -1.169070468829509e-09 -1.458102971004167e-09 ] [ 2.597203604617977e-09 1.461606130185546e-09 1.879459560726021e-09 ] [ -1.028897638452338e-09 2.517384447111018e-09 -2.129886335481206e-09 ] [ -1.063230681259461e-09 2.534239665597159e-10 9.825921706286246e-10 ] [ -1.296839888679095e-09 -1.663954949121427e-09 -4.435173680224748e-09 ] [ 2.339870487321172e-09 -4.724141134028602e-10 -2.023854607151986e-09 ] [ -9.21251396742338e-10 5.559193986612941e-10 5.60418198460137e-09 ] [ 8.842092334871041e-10 -1.482894411163778e-09 1.580784038123754e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.736882 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.725679684068835e-18 } }