{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "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" [ [ -1.603894154137498e-09 -9.500572506430253e-10 -1.193701370891716e-09 ] [ 2.310809406684791e-09 1.258484901900778e-09 1.698646398838623e-09 ] [ -1.401481889007433e-09 2.152280919416101e-09 -2.148133044362511e-09 ] [ -4.295353809357139e-10 1.214811970482701e-10 9.181007164175348e-10 ] [ -1.230036333386529e-09 -1.286190541115962e-09 -3.629349976604312e-09 ] [ 2.227667975736941e-09 -3.727161096909869e-10 -1.411166085374196e-09 ] [ -1.055439136134849e-09 5.137823137519162e-10 4.134587241566853e-09 ] [ 1.18190951118029e-09 -1.437065270449428e-09 1.631016120409724e-09 ] ] "source-value" [ [ -1.001072 -0.5929791 -0.7450498 ] [ 1.4422938 0.7854845 1.0602117 ] [ -0.8747362 1.3433481 -1.3407592 ] [ -0.2680949 0.0758226 0.5730334 ] [ -0.7677283 -0.802777 -2.2652621 ] [ 1.390401 -0.2326311 -0.8807806 ] [ -0.6587533 0.3206777 2.5806064 ] [ 0.7376899 -0.8969456 1.0180002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.461104768783455e-18 "source-value" -21.602517 } }