{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42446e-10 0.0 0.0 ] "source-value" [ 5.42446 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] "source-value" [ -0.00225581 5.46076 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] "source-value" [ -0.0117255 0.0343157 5.56103 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.537386360649131e-09 -1.858528084481241e-10 1.712215713293165e-10 ] [ -5.32365319505927e-10 1.339475250517542e-09 -3.122628775655586e-09 ] [ -1.853647694276623e-09 8.65872161844386e-10 4.43744925167927e-10 ] [ 3.519249841181895e-09 9.345289548342316e-10 4.121282126037082e-10 ] [ 5.158177189309805e-10 -3.458606334560979e-09 2.554630727667742e-09 ] [ -1.995967601543328e-10 1.062335705399082e-09 1.901690882863256e-09 ] [ -5.980601685768999e-10 -4.71332163530834e-10 -1.969987987201732e-09 ] [ 6.859885828323763e-10 -8.642076605530368e-11 -3.907997169922944e-10 ] ] "source-value" [ [ -0.9595611 -0.1160002 0.1068681 ] [ -0.3322763 0.8360347 -1.9489916 ] [ -1.1569559 0.5404349 0.2769638 ] [ 2.196543 0.5832871 0.2572302 ] [ 0.3219481 -2.1586923 1.5944751 ] [ -0.1245785 0.6630578 1.1869421 ] [ -0.3732798 -0.2941824 -1.2295698 ] [ 0.4281604 -0.0539396 -0.243918 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.789998583857865e-18 "source-value" -36.138329 } }