{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.659388 1.2008069 -3.2357196 ] [ -0.9763686 0.4616865 0.7120102 ] [ -0.4707105 -0.7818742 -1.9810261 ] [ -1.8585272 -1.0522908 4.4471967 ] [ 4.5023214 1.8397456 -2.4551815 ] [ -0.3711446 -2.346749 -0.2390394 ] [ -0.2737768 1.2590351 -0.1004383 ] [ -2.2111817 -0.5803599 2.852198 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.658632658436071e-09 1.923904741275323e-09 -5.184194294584327e-09 ] [ -1.564314944203227e-09 7.397033164389792e-10 1.140766096211132e-09 ] [ -7.541613582650783e-10 -1.252700563646703e-09 -3.173953702614603e-09 ] [ -2.977688828960886e-09 -1.685955718042929e-09 7.125194580838911e-09 ] [ 7.213514086407525e-09 2.947597388539669e-09 -3.933634399120676e-09 ] [ -5.946392010561677e-10 -3.759906382685779e-09 -3.829833381300596e-10 ] [ -4.386387882774375e-10 2.01719660198659e-09 -1.609198960928966e-10 ] [ -3.542703624080799e-09 -9.29839063429826e-10 4.569724953492518e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.268181 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.330150181474277e-18 } }