{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2167922000000002 -6.479723000000002 1.8756419000000004 ] [ 13.069348500000004 -2.8955297000000004 -6.386701300000002 ] [ -13.037116300000003 1.2857851000000002 10.048368000000002 ] [ 0.7239147000000001 6.101326400000001 0.21810020000000005 ] [ -3.936584700000001 1.1551522000000003 6.235422700000002 ] [ 1.7813824000000005 0.8061556000000002 -8.137129300000002 ] [ -2.9518636000000003 -2.5939936000000006 2.8964037000000005 ] [ 5.567711000000001 2.6208270000000002 -6.750105800000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.949516015211798e-09 -1.038166069986004e-08 3.005109601172892e-09 ] [ 2.093940461578756e-08 -4.639149990172039e-09 -1.023262350689297e-08 ] [ -2.08877629385106e-08 2.06005482659299e-09 1.609926028679486e-08 ] [ 1.159839207793446e-09 9.775402513949831e-09 3.494350414318043e-10 ] [ -6.307103972138984e-09 1.850757848305686e-09 9.990248470745616e-09 ] [ 2.854089233984595e-09 1.291603655046997e-09 -1.303711832488667e-08 ] [ -4.729406847710524e-09 -4.156035900424828e-09 4.640550292538617e-09 ] [ 8.920456395570992e-09 4.199027746561402e-09 -1.081486170068648e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.494263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.642672255592647e-18 } }