{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0069197000000005 0.08712950000000001 -1.6956489000000003 ] [ 0.5088574000000001 0.3913603000000001 -0.8859784000000003 ] [ 0.9401625000000002 0.4835273000000001 -1.0355522000000001 ] [ 0.35450390000000004 0.6034032000000001 2.3675720000000005 ] [ 0.8072904000000002 -0.031374000000000006 0.8128196000000002 ] [ -0.12361590000000003 -1.9085039000000004 -1.8442214000000003 ] [ -1.8026592000000004 0.7886019000000002 -0.06903540000000001 ] [ -2.6914588000000004 -0.41414440000000013 2.3500446000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.21543984965429e-09 1.39596849032103e-10 -2.716729047047803e-09 ] [ 8.152794363179917e-10 6.270283281352302e-10 -1.419493890708706e-09 ] [ 1.506306389663025e-09 7.746961419611083e-10 -1.659137538127295e-09 ] [ 5.679778652418726e-10 9.667585079208289e-10 3.793268537712649e-09 ] [ 1.293421815732514e-09 -5.026668971511601e-11 1.302280570777227e-09 ] [ -1.980545065708806e-10 -3.057760354477873e-09 -2.954768435002768e-09 ] [ -2.888178449305133e-09 1.263479537708005e-09 -1.106069047988436e-10 ] [ -4.31219240073368e-09 -6.635324807819497e-10 3.765186546977877e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.677737 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.716203657539725e-18 } }