{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4551742 4.4559851 -2.3768519 ] [ 2.2132638 -2.7216737 -0.2071797 ] [ 14.6143794 17.280383 -7.8572721 ] [ -3.4504156 0.1739466 -2.669789 ] [ -2.513665 -2.3402173 -7.0161148 ] [ -11.1637957 -15.0054292 7.8229029 ] [ -1.2631648 3.134619 5.4961342 ] [ -0.8917763 -4.9776136 6.8081703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.933622703231343e-09 7.13927514985315e-09 -3.808136545284059e-09 ] [ 3.546039516022967e-09 -4.360601971586233e-09 -3.319384716443578e-10 ] [ 2.341481700218114e-08 2.768622564106977e-08 -1.258873766188412e-08 ] [ -5.528175206363604e-09 2.786931757876493e-10 -4.277473518269012e-09 ] [ -4.027335295523232e-09 -3.7494414456517e-09 -1.124105510140887e-08 ] [ -1.788637246992757e-08 -2.404134784930965e-08 1.253367213316852e-08 ] [ -2.023813110777508e-09 5.022213276915475e-09 8.805777720019311e-09 ] [ -1.428783138843527e-09 -7.975016137296123e-09 1.090789128508492e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -27.007246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.327037813339431e-18 } }