{ "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" [ [ 9.266446228549788e-08 8.930506064446724e-08 -4.572910737507084e-08 ] [ 4.720816937975766e-09 4.373455273308939e-09 1.662900748948473e-08 ] [ 9.4878034791978e-08 9.382774248801983e-08 -1.118345106803351e-07 ] [ -1.808372028680282e-07 1.653061545198e-07 -1.144408396421145e-07 ] [ 5.703652639450752e-10 2.122610210575505e-09 3.228339427789997e-10 ] [ -9.608784316487395e-08 -8.982961487229377e-08 9.355804697591692e-08 ] [ 1.778018053995804e-07 -1.606753320028323e-07 1.162731019635096e-07 ] [ -9.371043880629263e-08 -1.044300762610455e-07 4.522146716561242e-08 ] ] "source-value" [ [ 57.8366087 55.7398351 -28.5418641 ] [ 2.9465022 2.7296961 10.3790102 ] [ 59.218212 58.5626711 -69.8016119 ] [ -112.8697052 103.1759872 -71.4283545 ] [ 0.355994 1.3248291 0.2014971 ] [ -59.973315 -56.0672361 58.3943404 ] [ 110.9751591 -100.2856551 72.5719627 ] [ -58.4894559 -65.1801274 28.22502 ] ] } "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" 7.338263243109242e-18 "source-value" 45.801837 } }