{ "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" [ [ 0.5404650000000001 0.6020745000000001 -0.042191700000000006 ] [ -0.19927130000000007 -0.07331390000000002 0.07326930000000001 ] [ -0.11649060000000003 0.03881250000000001 -0.27609040000000007 ] [ 0.13331960000000004 -0.24066850000000006 -0.14627090000000004 ] [ -0.11570740000000003 -0.027583200000000006 -0.12444850000000003 ] [ -0.07045410000000002 -0.017592100000000003 -0.3178269000000001 ] [ -0.013357500000000003 0.25712830000000003 0.21517440000000004 ] [ -0.15850380000000003 -0.5388576000000002 0.6183848000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.659203873606721e-10 9.646296878798497e-10 -6.759855533180736e-11 ] [ -3.192678180564232e-10 -1.174618165596692e-10 1.173903594823815e-10 ] [ -1.866385158629645e-10 6.218448009480002e-11 -4.423455841073204e-10 ] [ 2.136015462144078e-10 -3.855934440630049e-10 -2.343518162833748e-10 ] [ -1.85383691133554e-10 -4.419315816685057e-11 -1.993884771936288e-10 ] [ -1.128799118595053e-10 -2.818565133077568e-11 -5.092148286413397e-10 ] [ -2.1401074212336e-11 4.119649508060487e-10 3.447473930746676e-10 ] [ -2.539510826679591e-10 -8.633450486603984e-10 9.90761669218084e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 155.67616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.494207039679202e-17 } }