{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.21130969999999993 0.22773079999999996 -0.3920949999999999 ] [ -0.006490899999999997 -0.028231199999999994 -0.4471550999999999 ] [ -0.22003139999999993 0.38519789999999987 0.033357599999999994 ] [ 0.04807099999999999 -0.09099969999999999 0.060178399999999986 ] [ -0.19649469999999994 -0.14505679999999999 0.06310619999999999 ] [ 0.3778496999999999 0.020999199999999996 0.09552049999999997 ] [ -0.5984857999999998 -0.24628459999999994 -0.12803159999999997 ] [ 0.3842723999999999 -0.12335559999999997 0.7151190999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.385554610882617e-10 3.648649635960806e-10 -6.282054421325758e-10 ] [ -1.039956822795072e-11 -4.523136861712895e-11 -7.16421447091486e-10 ] [ -3.52529164921893e-10 6.171550697612561e-10 5.344476684599807e-11 ] [ 7.701823233847678e-11 -1.457975918398137e-10 9.64164255571507e-11 ] [ -3.148192144511097e-10 -2.324066136480614e-10 1.011072782675289e-10 ] [ 6.053819555162936e-10 3.364442729550336e-11 1.530407119071264e-10 ] [ -9.588799566407845e-10 -3.945914281830796e-10 -2.051292362436172e-10 ] [ 6.156722552987058e-10 -1.976374583647564e-10 1.145747103107537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 149.26324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.391460734728594e-17 } }