{ "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" [ [ 13.6440969 -13.224421 4.0487494 ] [ -0.4236574 4.8572491 9.0407766 ] [ 8.4918131 2.8410593 -0.7202561 ] [ -6.4408464 -1.2267598 -4.9909862 ] [ 4.0247566 1.4440847 1.4358235 ] [ -20.0446929 8.1173242 -12.1665495 ] [ 8.4150304 0.3618551 2.2458604 ] [ -7.6665003 -3.1703916 1.1065819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.186025306510975e-08 -2.118785814981656e-08 6.486811632158028e-09 ] [ -6.78773981508914e-10 7.782170949421841e-09 1.448492090239571e-08 ] [ 1.360538441702317e-08 4.551878788766414e-09 -1.153977484408587e-09 ] [ -1.031937352024384e-08 -1.965485870897284e-09 -7.996441404375434e-09 ] [ 6.448370928930497e-09 2.313678744794982e-09 2.300442843295228e-09 ] [ -3.211513833549575e-08 1.300538705669406e-08 -1.949296116470593e-08 ] [ 1.348236497020127e-08 5.797557813372461e-10 3.598265026460537e-09 ] [ -1.228308754401619e-08 -5.079527300300705e-09 1.772939649180443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4868471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.38219166232428e-19 } }