{ "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" [ [ 2.2822971000000005 2.4975683000000006 -0.29810460000000005 ] [ -0.9862435000000003 -0.7408119000000001 0.5329182000000001 ] [ 0.12591610000000003 0.5869135000000001 -1.2032389000000001 ] [ 0.4557702000000001 -0.7268436000000001 -0.7090946000000001 ] [ 0.18545360000000002 0.6965576000000001 -0.4705144000000001 ] [ 0.3205158000000001 -0.035733900000000006 -1.0774628000000002 ] [ -0.4476289000000001 0.8545280000000002 0.42089300000000013 ] [ -1.9360803000000004 -3.1321779000000007 2.8046040000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.656643085465961e-09 4.001545572079102e-09 -4.776162246079165e-10 ] [ -1.580136291134379e-09 -1.186911516369145e-09 8.538290878733389e-10 ] [ 2.017398332644074e-10 9.40339095879159e-10 -1.927801250699863e-09 ] [ 7.30224364913507e-10 -1.164531832492442e-09 -1.136094799415577e-09 ] [ 2.971294246111824e-10 1.116008310955118e-09 -7.538471776405297e-10 ] [ 5.135229255878173e-10 -5.72520196216926e-11 -1.726285722164215e-09 ] [ -7.171805642831227e-10 1.369104794698752e-09 6.743449300141622e-10 ] [ -3.101942618207711e-09 -5.018302244911189e-09 4.493470996422937e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.369258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.826997536351757e-18 } }