{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.2597692 -6.7840443 2.2215401 ] [ 0.1392226 2.190188 5.7720354 ] [ 2.3466802 0.4476875 -1.6636844 ] [ -2.684328 0.1012021 -2.3887214 ] [ 1.7424571 0.8513257 -0.7270251 ] [ -7.9144806 7.1826691 -8.1372734 ] [ 3.8868663 0.2414918 0.5967707 ] [ -2.7761867 -4.23052 4.3263581 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.427079312472872e-09 -1.086923726148088e-08 3.559299639714023e-09 ] [ 2.230591966447284e-10 3.509068037667192e-09 9.247820248500844e-09 ] [ 3.759796183910447e-09 7.172744518338749e-10 -2.665516272030309e-09 ] [ -4.300767599591951e-09 1.621436399317314e-10 -3.827153612215767e-09 ] [ 2.791724051367401e-09 1.363974144463694e-09 -1.164822627551513e-09 ] [ -1.26803958875663e-08 1.150790460177381e-08 -1.303734930594973e-08 ] [ 6.227446365342033e-09 3.869125192626011e-10 9.561320713958237e-10 ] [ -4.447941462361566e-09 -6.778040293669679e-09 6.931589858136635e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.377155 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.187392121639627e-18 } }