{ "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" [ [ 1.5850174 -1.7835672 2.8553701 ] [ -2.02042 1.2900798 -0.6178162 ] [ 0.3939416 0.3968143 1.1325339 ] [ -1.923526 0.6017366 -3.1150251 ] [ 0.3534672 0.5821042 1.7648327 ] [ -1.9593679 1.7450756 -2.4403502 ] [ 1.4114953 -1.7870388 0.2924648 ] [ 2.1593924 -1.0452046 0.12799 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.539477842763431e-09 -2.857589693008805e-09 4.574807255642243e-09 ] [ -3.23706971486628e-09 2.066935711555393e-09 -9.898506797466707e-10 ] [ 6.311640266805743e-10 6.357665994970662e-10 1.814519351792893e-09 ] [ -3.081828412091484e-09 9.640883203426042e-10 -4.990820429543513e-09 ] [ 5.663168887254047e-10 9.326337477932627e-10 2.827573714859131e-09 ] [ -3.139253466789648e-09 2.79591935088353e-09 -3.909872069217227e-09 ] [ 2.26146478866082e-09 -2.863151809411399e-09 4.685802688274832e-10 ] [ 3.459728046917182e-09 -1.674602387869316e-09 2.050625873856599e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.509601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.689265300486304e-18 } }