{ "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" [ [ 3.003253000000001 -0.003428200000000001 -2.7610035000000006 ] [ 1.0906390000000001 -0.26927580000000007 -1.0587674000000002 ] [ 2.1228419000000005 1.3477040000000002 -1.6615788000000005 ] [ 0.37108270000000004 1.0510148000000001 3.753897300000001 ] [ 0.4741643000000001 0.25042470000000006 1.2585021000000003 ] [ -0.31716110000000003 -3.113374100000001 -2.4297420000000005 ] [ -2.2040308000000004 1.0934602000000002 -0.8955055000000002 ] [ -4.5407891000000005 -0.35652560000000005 3.7941977000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.811741742947464e-09 -5.492581891426562e-12 -4.423615257646974e-09 ] [ 1.747396307532691e-09 -4.314273913072168e-10 -1.696332375145202e-09 ] [ 3.401167661834652e-09 2.159259840558644e-09 -2.66214270697692e-09 ] [ 5.945400263233402e-10 1.683911340674788e-09 6.014406490944246e-09 ] [ 7.596949558779977e-10 4.012245996108539e-10 2.016342641847704e-09 ] [ -5.081480994472109e-10 -4.988175194824243e-09 -3.892875826975834e-09 ] [ -3.531246619283121e-09 1.751916368215293e-09 -1.434757975897815e-09 ] [ -7.275146136003474e-09 -5.712169810366925e-10 6.078974849633133e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.831892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.580684302063056e-18 } }