{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4169207 0.7060878 -2.0705817 ] [ -0.6088391 1.8088559 -0.6430983 ] [ 0.1760541 -0.1752197 -1.6122918 ] [ -0.2353281 -0.369988 2.5662538 ] [ 0.5948534 0.282588 0.0328985 ] [ -0.9102233 0.4791387 1.9452303 ] [ 0.1100362 -0.7390687 -1.1662235 ] [ -0.5434739 -1.9923941 0.9478127 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.270157219067571e-09 1.131277365392106e-09 -3.317437591196319e-09 ] [ -9.754677718489132e-10 2.898106633376143e-09 -1.030357061136225e-09 ] [ 2.820697630159853e-10 -2.807329068435897e-10 -2.583176227867549e-09 ] [ -3.770371800372845e-10 -5.927861235765504e-10 4.111591841399159e-09 ] [ 9.530602102833908e-10 4.527558869186304e-10 5.27092075593888e-11 ] [ -1.458338490967425e-09 7.676648232605049e-10 3.11660250873177e-09 ] [ 1.76297427081673e-10 -1.184118592305049e-09 -1.868496026327549e-09 ] [ -8.707411765949971e-10 -3.192167246439857e-09 1.518563348837324e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.202510038775916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.756145940320407e-18 } }