{ "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 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "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 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 1.79211 1.904201 -0.270381 ] [ -0.685943 -0.38345 0.41001 ] [ -0.010057 0.282246 -0.907133 ] [ 0.373976 -0.577992 -0.554306 ] [ -0.011614 0.298537 -0.397483 ] [ 0.112688 0.019694 -0.90306 ] [ -0.274455 0.655857 0.439539 ] [ -1.296705 -2.199092 2.182813 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -35.803641 } }