{ "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" [ [ 4.6601007 -5.3660642 2.4093479 ] [ -0.5537493 1.7585824 3.8931129 ] [ 2.9343729 0.4018563 -1.4468707 ] [ -1.7866306 -0.125823 -1.5880404 ] [ 1.6810112 0.4766634 -0.1741973 ] [ -7.5509984 4.276363 -6.2637754 ] [ 3.5095795 0.8720361 1.2512229 ] [ -2.8936859 -2.2936139 1.9192001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.466304453627044e-09 -8.597382677783903e-09 3.860200908556968e-09 ] [ -8.872041895538562e-10 2.817559630243641e-09 6.237454521903978e-09 ] [ 4.701383695822819e-09 6.438447740856941e-10 -2.318142427959224e-09 ] [ -2.8624978009094e-09 -2.01590670619782e-10 -2.544321222728013e-09 ] [ 2.693276866132301e-09 7.636989617629956e-10 -2.790948437658882e-10 ] [ -1.209803319985138e-08 6.851488877102142e-09 -1.0035674586504e-08 ] [ 5.622966270065403e-09 1.397155863424487e-09 2.004680094305718e-09 ] [ -4.63619593511526e-09 -3.674774597997612e-09 3.074897556190464e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.722689 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.242752771744883e-18 } }