{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4112734 3.1305314 -0.330268 ] [ -1.0645181 -0.7965464 -1.1343303 ] [ 0.3434045 0.358484 -0.5837431 ] [ -0.0883089 -0.126662 -1.1936366 ] [ 1.9413101 -0.210177 0.3673583 ] [ 0.2154995 -3.0453044 -1.3645031 ] [ -0.3363707 0.9163432 2.1305939 ] [ -2.4222898 -0.2266686 2.1085289 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.261109265665735e-09 5.015664261083308e-09 -5.29147672557912e-10 ] [ -1.705546026290075e-09 -1.276208029976817e-09 -1.81739750189821e-09 ] [ 5.501946659104529e-10 5.743546884628559e-10 -9.352595550787252e-10 ] [ -1.414864561542426e-10 -2.02934896815708e-10 -1.912416670007204e-09 ] [ 3.110321681568203e-09 -3.36740678404218e-10 5.885728845659622e-10 ] [ 3.45268263538683e-10 -4.879115553097388e-09 -2.186174983840565e-09 ] [ -5.389252759022237e-10 1.468143663764789e-09 3.413587763122933e-09 ] [ -3.880936118336533e-09 -3.631631345814924e-10 3.378235735693722e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.242459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.8066820968503e-18 } }