{ "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" [ [ 1.5486476000000005 1.7183837000000004 0.6789260000000001 ] [ -1.0982242000000002 -0.8387422000000002 0.24886570000000005 ] [ -0.15796290000000002 0.6986210000000002 -1.3158339000000001 ] [ 0.33347720000000003 -0.5053050000000001 -0.6425555000000001 ] [ 0.12695660000000003 0.6511756000000001 -0.36432110000000006 ] [ 0.31898550000000003 0.008854500000000001 -0.9367404000000003 ] [ -0.30988830000000006 0.6525568000000002 0.3990037000000001 ] [ -0.7619914000000002 -2.3855445000000004 1.9326556000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.481206978578031e-09 2.753154189703802e-09 1.087759364453261e-09 ] [ -1.759549137636784e-09 -1.343813143718358e-09 3.987268062590267e-10 ] [ -2.530844653337683e-10 1.119314232999917e-09 -2.108198311436086e-09 ] [ 5.342893734098458e-10 -8.095878573733442e-10 -1.029487399666454e-09 ] [ 2.034068963762573e-10 1.043298322355413e-09 -5.83706748884139e-10 ] [ 5.110711104741984e-10 1.41864728888736e-11 -1.500823568638841e-09 ] [ -4.964957893194567e-10 1.045511248704062e-09 6.392743997526973e-10 ] [ -1.220844806330661e-09 -3.822063625778026e-09 3.096455618378197e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.635863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.869712318143176e-18 } }