{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42802e-10 0.0 0.0 ] "source-value" [ 5.42802 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] "source-value" [ -0.0476613 5.42825 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] "source-value" [ -0.0987222 -0.186163 5.49756 ] } "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" [ [ 1.646429219719482e-09 4.303234755937192e-09 -1.954073566827325e-09 ] [ 8.651303540689554e-10 -1.757066725180516e-09 -1.275157952905133e-09 ] [ -1.865370019522706e-09 4.182849127262225e-09 -1.698799086270586e-10 ] [ -1.994333381390112e-10 -2.510014114220014e-09 7.660905245129069e-10 ] [ -1.088281834249304e-09 5.493568832224973e-10 -2.756751556870483e-10 ] [ 2.254754533905848e-09 -2.570883047091475e-09 9.253659465222144e-10 ] [ -3.885661706305357e-09 5.972369702291327e-10 -2.036904976599051e-09 ] [ 2.272432790522093e-09 -2.79471368994138e-09 4.020235089610494e-09 ] ] "source-value" [ [ 1.0276202999999997 2.6858678999999994 -1.2196367999999997 ] [ 0.5399718999999998 -1.0966747999999997 -0.7958909999999998 ] [ -1.1642723999999998 2.6107290999999995 -0.10603069999999998 ] [ -0.12447649999999998 -1.5666275999999995 0.47815609999999986 ] [ -0.6792520999999999 0.34288159999999995 -0.17206289999999996 ] [ 1.4073070999999997 -1.6046189999999996 0.5775679999999999 ] [ -2.4252392999999994 0.37276599999999993 -1.2713360999999999 ] [ 1.4183409999999999 -1.7443230999999995 2.5092333999999994 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.408360913871616e-18 "source-value" -33.756334 } }