{ "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" [ [ 0.7467535999999999 1.9457920999999996 -0.8110104999999997 ] [ 0.36425669999999993 -0.7839986999999998 -0.46592319999999987 ] [ -0.7778094999999998 1.8552819999999997 -0.07059959999999998 ] [ -0.15175959999999997 -1.1537675999999997 0.3220064999999999 ] [ -0.4788024999999999 0.2758556999999999 -0.12037269999999997 ] [ 0.9829348999999997 -1.1959163999999998 0.3958694999999999 ] [ -1.6818239999999995 0.34627959999999997 -0.9313113999999998 ] [ 0.9962504999999998 -1.2895266999999997 1.6813415999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.196431159418235e-09 3.117502611557335e-09 -1.299382062323318e-09 ] [ 5.836035687097592e-10 -1.256104387877593e-09 -7.464912581283223e-10 ] [ -1.246188196336137e-09 2.972489445391065e-09 -1.131130285578317e-10 ] [ -2.431456831019596e-10 -1.848539474556525e-09 5.15911286045635e-10 ] [ -7.671261714805919e-10 4.419695532544184e-10 -1.928583257225721e-10 ] [ 1.574835316548386e-09 -1.916069296511301e-09 6.342528577877854e-10 ] [ -2.694579093100339e-09 5.548010793799756e-10 -1.492125351764517e-09 ] [ 1.59616925956031e-09 -2.066049530637375e-09 2.693806203098465e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.234546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.722584639610216e-18 } }