{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1475355000000005 2.3213115000000006 -0.25224870000000005 ] [ -0.8957725000000002 -0.6490199000000001 0.6009782000000001 ] [ 0.23806790000000005 0.4989942000000001 -1.1101774000000002 ] [ 0.44395050000000014 -0.6540150000000001 -0.7762148000000002 ] [ 0.21650110000000006 0.7406260000000001 -0.4481921000000001 ] [ 0.40166000000000013 0.005913800000000002 -1.0789190000000002 ] [ -0.5029388000000001 0.7813991000000002 0.3900662000000001 ] [ -2.0490037000000005 -3.045209700000001 2.6747076000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.440731170438039e-09 3.71915101489418e-09 -4.041469697671931e-10 ] [ -1.435185757055568e-09 -1.039844510213954e-09 9.628732216504667e-10 ] [ 3.814268235429524e-10 7.994768411547996e-10 -1.77870027522053e-09 ] [ 7.112871118924706e-10 -1.047847542652512e-09 -1.243633205278948e-09 ] [ 3.46873000797483e-10 1.186613661956621e-09 -7.180829042472558e-10 ] [ 6.435302615105282e-10 9.474952100087043e-12 -1.728618797536915e-09 ] [ -8.057967870532072e-10 1.251939369534162e-09 6.249549462042971e-10 ] [ -3.282865824072698e-09 -4.878963786773383e-09 4.285353984196079e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.271378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.971533045659947e-18 } }