{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2593722 4.2231915 2.4133385 ] [ -5.3459597 -4.5104687 4.6712054 ] [ -3.0175301 -4.3323127 -2.7552056 ] [ 5.0368944 -1.0960851 2.8609387 ] [ -0.3432653 0.4024989 -3.0758464 ] [ 1.6651328 0.5056075 1.3987392 ] [ 3.9038165 4.8505287 -5.1505561 ] [ 1.3602837 -0.0429599 -0.3626136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.222089937325461e-09 6.766298686461284e-09 3.866594522776541e-09 ] [ -8.565171647078982e-09 -7.226567499990168e-09 7.484096082834712e-09 ] [ -4.834616178780286e-09 -6.941130121934925e-09 -4.414325997817236e-09 ] [ 8.069994449118443e-09 -1.75612192162723e-09 4.583729098681945e-09 ] [ -5.499716383918982e-10 6.448743274777172e-10 -4.928049191251845e-09 ] [ 2.667836842687242e-09 8.10072515801136e-10 2.241027244836495e-09 ] [ 6.254603528193283e-09 7.771403681659417e-09 -8.252100567538828e-09 ] [ 2.179414741795322e-09 -6.882934741190592e-11 -5.809710323041229e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -30.694046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.917728289895976e-18 } }