{ "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" [ [ 0.7932003999999998 2.2453513999999997 -0.9925840999999997 ] [ 0.3373054999999999 -0.8956797999999998 -0.5530819999999999 ] [ -0.9997965999999998 2.2921145999999997 -0.22738029999999995 ] [ -0.15653679999999998 -1.4196728999999997 0.4692177999999999 ] [ -0.5673284999999999 0.3094876999999999 -0.11451379999999997 ] [ 1.1934323999999998 -1.4038518999999998 0.5497027999999999 ] [ -1.9172972999999995 0.49598789999999987 -1.1141033999999999 ] [ 1.3170208999999997 -1.6237369999999995 1.9827429999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.270847146959453e-09 3.597449548199187e-09 -1.590295052299919e-09 ] [ 5.404229906196868e-10 -1.435037247105793e-09 -8.861350570859877e-10 ] [ -1.601850751272644e-09 3.672372454570255e-09 -3.643034036919101e-10 ] [ -2.507996033211311e-10 -2.274566748303018e-09 7.51769795416885e-10 ] [ -9.089604665022688e-10 4.958539614504016e-10 -1.834713346305492e-10 ] [ 1.912089505538541e-09 -2.249218711776504e-09 8.80720981804375e-10 ] [ -3.071848934491287e-09 7.946602241267284e-10 -1.784990435339955e-09 ] [ 2.11010011246965e-09 -2.601513481161257e-09 3.176704505827061e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.889660292303475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.589939848852623e-18 } }