{ "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" [ [ 2.9679564 -3.1790077 4.2141704 ] [ -2.0605853 1.3119858 -0.7551862 ] [ 0.4090531 0.4686669 1.1276163 ] [ -2.3939863 0.9615451 -3.5086863 ] [ 0.4324676 0.565509 2.0056446 ] [ -3.4030064 3.1015728 -3.7959967 ] [ 1.9116658 -2.2061651 0.7933237 ] [ 2.1364351 -1.0241068 -0.080886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.755190355633732e-09 -5.093331814283181e-09 6.751845290947385e-09 ] [ -3.301421592824154e-09 2.102032975581585e-09 -1.209941673990793e-09 ] [ 6.553753134857645e-10 7.508871501228115e-10 1.806640473092999e-09 ] [ -3.835588880375495e-09 1.540565079064798e-09 -5.621535159581256e-09 ] [ 6.928894779734861e-10 9.060452986519872e-10 3.213396887753768e-09 ] [ -5.452217294512773e-09 4.969267427869194e-09 -6.081857165373951e-09 ] [ 3.062826251542928e-09 -3.534666144844895e-09 1.271044684866553e-09 ] [ 3.42294636907651e-09 -1.640799972162302e-09 -1.295936581500288e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.305359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.656542077875088e-18 } }