{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2686626 -0.0033786 -1.64702 ] [ 0.3745075 0.0243433 0.1043556 ] [ -0.0808524 1.7994349 -2.815042 ] [ -0.3949014 -0.1256708 2.9646663 ] [ 0.5996366 -0.0262796 -1.9831738 ] [ -0.7297937 -1.4271592 3.7059669 ] [ -0.372694 -0.0263304 -1.3157271 ] [ 0.8727601 -0.2149597 0.985974 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.30444936603342e-10 -5.41311393103488e-12 -2.638816937990016e-09 ] [ 6.000271608142559e-10 3.900226613312064e-11 1.671961025695565e-10 ] [ -1.295398250155699e-10 2.883012527431586e-09 -4.510194478970074e-09 ] [ -6.327017906011892e-10 -2.013468176772326e-10 4.749919034333639e-09 ] [ 9.607237414960013e-10 -4.210456072397568e-11 -3.177394697343095e-09 ] [ -1.169258404147129e-09 -2.286561104399631e-09 5.937613524638652e-09 ] [ -5.971216135124353e-10 -4.218595129631232e-11 -2.108027198972983e-09 ] [ 1.39831582778707e-09 -3.444034057541818e-10 1.579704491516659e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.587087 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.458632610257561e-18 } }