{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7263611 1.9629162 -1.0818949 ] [ 1.1705803 -1.3611493 -0.8084134 ] [ 3.7826474 -0.268844 1.2046742 ] [ -0.0818815 -0.8023163 1.4089923 ] [ 0.0381578 0.8377688 -1.6700716 ] [ -1.800599 -1.3838882 2.3830754 ] [ -0.9337792 -0.7834212 -0.4366187 ] [ -3.9014869 1.798934 -0.9997433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.765935393478571e-09 3.144938444229577e-09 -1.733386714942754e-09 ] [ 1.87547638942905e-09 -2.180801585878286e-09 -1.295221049421439e-09 ] [ 6.060469229009906e-09 -4.307355714423552e-10 1.930100838920944e-09 ] [ -1.311886249760352e-10 -1.285452418346759e-09 2.25745452194722e-09 ] [ 6.113553506116223e-11 1.342253584995671e-09 -2.67574967258205e-09 ] [ -2.884877621235859e-09 -2.217233319840994e-09 3.818107691483608e-09 ] [ -1.496079203229327e-09 -1.255179130879081e-09 -6.99540273344089e-10 ] [ -6.250871097537468e-09 2.882209997162227e-09 -1.601765342061441e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.51644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.690360982204596e-18 } }