{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2700865 0.4323293 0.0068255999999999985 ] [ -0.7035809 0.3971016 -1.3749457999999999 ] [ -0.9122763 0.2450378 -0.26344609999999996 ] [ 0.990853 0.1034906 0.21947199999999994 ] [ -0.203375 -1.6334657 0.5440343999999999 ] [ 0.7408965 0.6994798 1.6751610999999995 ] [ -1.0330578 -1.7623183 -2.3650224999999994 ] [ 2.390627 1.5183448 1.5579211999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.034902896693699e-09 6.926678969468295e-10 1.093581674293248e-11 ] [ -1.127260868821423e-09 6.362268996022733e-10 -2.202906015627153e-09 ] [ -1.461627759569927e-09 3.925938343722662e-10 -4.220871822609389e-10 ] [ 1.587521511249542e-09 1.658102197925645e-10 3.516329073202175e-10 ] [ -3.258426702552e-10 -2.617100555418707e-09 8.716391965909554e-10 ] [ 1.187047050732547e-09 1.12069018228186e-09 2.68390395049361e-09 ] [ -1.655141055095082e-09 -2.823545178668001e-09 -3.789183757165967e-09 ] [ 3.830206688453242e-09 2.432656540873252e-09 2.496064923688681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.025727 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.771957754672333e-18 } }