{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.541499 -2.4602583 2.8797324 ] [ -1.6804116 1.0072477 -0.5634004 ] [ 0.5017954 0.3877606 1.1340187 ] [ -2.1542794 0.625097 -2.8310887 ] [ 0.3168197 0.2959572 1.977069 ] [ -2.6715298 2.6308816 -3.0534278 ] [ 1.4534197 -1.8661761 0.5991905 ] [ 1.692687 -0.6205098 -0.1420938 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.071930279586579e-09 -3.941768329389153e-09 4.613839925440274e-09 ] [ -2.692316178841121e-09 1.613788716294572e-09 -9.026669490293684e-10 ] [ 8.039648583049843e-10 6.212609677873804e-10 1.816898248690009e-09 ] [ -3.451536089351052e-09 1.001515799132218e-09 -4.535904126551064e-09 ] [ 5.076011163488698e-10 4.741757065974297e-10 3.167613729508435e-09 ] [ -4.2802625873305e-09 4.215136991612897e-09 -4.892130634460779e-09 ] [ 2.32863506355015e-09 -2.989943717715723e-09 9.600090105054624e-10 ] [ 2.71198353773209e-09 -9.941662945372839e-10 -2.27659364320631e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.691357038775916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.674250201695229e-18 } }