{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1981044 1.1504898 1.6638943 ] [ -1.849135 -1.8061891 1.5810843 ] [ -0.2889393 -2.6844564 -1.2011667 ] [ 1.5070599 -0.8180858 0.2948096 ] [ -0.0894636 1.2624983 -0.6840422 ] [ 0.9220206 0.8220629 -0.5277481 ] [ 1.3218716 1.1129689 -0.549145 ] [ -0.3253097 0.9607113 -0.5776863 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.919574858957612e-09 1.843287860028868e-09 2.665852546942382e-09 ] [ -2.962640865703008e-09 -2.893833948763793e-09 2.533176300973934e-09 ] [ -4.629317912903175e-10 -4.300973283636934e-09 -1.924481204423487e-09 ] [ 2.414576137925186e-09 -1.310717942568465e-09 4.723370487073997e-10 ] [ -1.433364883326029e-10 2.022745260059745e-09 -1.095956420480598e-09 ] [ 1.477239849215989e-09 1.317089959207049e-09 -8.455456674916206e-10 ] [ 2.117871773219489e-09 1.783172751257493e-09 -8.79827280429216e-10 ] [ -5.212035958594618e-10 1.539229184198375e-09 -9.25555484016455e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 160.47441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.571083479386738e-17 } }