{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.494765746563451e-08 3.060672509598652e-08 -7.979957249994671e-09 ] [ -1.459455528507446e-09 -2.003538366729594e-09 7.622726978432025e-09 ] [ 3.223851442683345e-08 2.715905473838614e-08 -3.869881996941228e-08 ] [ -6.010371713538317e-08 6.599948324864548e-08 -4.227429259148297e-08 ] [ -1.337141520051685e-09 -7.344712484660948e-10 2.714841500388273e-09 ] [ -3.4506587854988e-08 -2.909360354004175e-08 2.732378653309524e-08 ] [ 6.78111300430255e-08 -5.409859942361568e-08 4.27111539250173e-08 ] [ -3.759039973634549e-08 -3.783505034394737e-08 8.580560553521767e-09 ] ] "source-value" [ [ 21.8126123 19.1032154 -4.9806976 ] [ -0.9109205 -1.2505103 4.757732 ] [ 20.1216982 16.9513488 -24.1539038 ] [ -37.5137899 41.1936377 -26.3855383 ] [ -0.8345781 -0.4584209 1.6944708 ] [ -21.5373183 -18.1587992 17.0541663 ] [ 42.3243787 -33.7656902 26.6582057 ] [ -23.4620823 -23.6147812 5.3555647 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.925172983950907e-19 "source-value" -2.4499003 } }