{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5186667 -0.1765745 -2.8137311 ] [ 0.4056079 0.6086083 1.3194941 ] [ -0.3159086 0.5954174 0.2601781 ] [ -0.0787831 -0.4625137 0.7894135 ] [ -1.0016184 0.323819 1.1660251 ] [ 0.49518 0.4981851 0.6542327 ] [ 0.026512 1.4420763 -1.4987853 ] [ -0.0496564 -2.829018 0.1231729 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.309956607274875e-10 -2.829035357294496e-10 -4.508094185637867e-09 ] [ 6.498554945917844e-10 9.750979894848325e-10 2.114062598303537e-09 ] [ -5.061413732296588e-10 9.53963837897522e-10 4.168512690641645e-10 ] [ -1.262244409341485e-10 -7.41028636939705e-10 1.264779853843901e-09 ] [ -1.604769583443103e-09 5.188152311708353e-10 1.868178154485982e-09 ] [ 7.93365819087744e-10 7.981805200509101e-10 1.04819633650286e-09 ] [ 4.247690657064961e-11 2.310460933269767e-09 -2.401318767258714e-09 ] [ -7.955832315309312e-11 -4.532586499422375e-09 1.973447406961363e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.892568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.750623331007421e-18 } }