{ "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" [ 5.23298 0 0 ] "si-unit" "m" "si-value" [ 5.23298e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.924429 5.53043 0 ] "si-unit" "m" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.629107 -0.473789 5.46851 ] "si-unit" "m" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7017487 0.7294279 -1.2230858 ] [ -15.840361 -10.1258647 7.3243796 ] [ 2.0116785 -3.0014108 -4.9427511 ] [ 3.6571878 5.0413487 4.4395299 ] [ 2.0809281 -4.1324414 5.7484472 ] [ -1.9757112 -2.0688394 2.8844378 ] [ 5.7335553 6.404825 -15.0729534 ] [ 3.6309737 7.1529546 0.8419958 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.124325360816793e-09 1.16867232793924e-09 -1.959599473992465e-09 ] [ -2.537905605923211e-08 -1.6223423687724e-08 1.173494975698446e-08 ] [ 3.223064261266013e-09 -4.808790213176625e-09 -7.919160254853483e-09 ] [ 5.859460791034986e-09 8.077131024440473e-09 7.112911013122562e-09 ] [ 3.334014351385765e-09 -6.620900997906022e-09 9.210027709743223e-09 ] [ -3.165438294092713e-09 -3.314646118869899e-09 4.621378807311787e-09 ] [ 9.18616825572393e-09 1.026166087531536e-08 -2.414953354388787e-08 ] [ 5.817461172879674e-09 1.146029662976382e-08 1.349025985571793e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.388469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.548334133210556e-18 } }