{ "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" [ [ -4.4424975 4.6363276 4.649914 ] [ -6.0794502 -5.7666313 4.1928581 ] [ -3.0965069 -6.0843966 -4.033219 ] [ 6.101663 -1.6869133 2.261755 ] [ 0.7197191 2.2191474 -2.4444045 ] [ 1.676966 0.3468873 0.5064457 ] [ 4.4849599 5.1932535 -3.9462965 ] [ 0.6351467 1.1423253 -1.1870529 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.117665632462449e-09 7.428215687089775e-09 7.449983499530611e-09 ] [ -9.740352977757884e-09 -9.239161849633511e-09 6.717699222151909e-09 ] [ -4.961150961325883e-09 -9.748277984195009e-09 -6.461929188366355e-09 ] [ 9.77594180660039e-09 -2.702733050576577e-09 3.623730982977504e-09 ] [ 1.153117115563217e-09 3.555466082389106e-09 -3.916367741678314e-09 ] [ 2.686795719076493e-09 5.557747221124358e-10 8.114154602446905e-10 ] [ 7.185697897005506e-09 8.320509343587772e-09 -6.322663991044867e-09 ] [ 1.017617193518271e-09 1.830206889008346e-09 -1.901868404032841e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.367202240654237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.661008905308159e-18 } }