{ "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" [ [ 2.8428586 -2.9874107 3.9267931 ] [ -2.0146256 1.3110224 -0.7129578 ] [ 0.3843173 0.4161954 1.0454418 ] [ -2.2613057 0.9921914 -3.3454275 ] [ 0.3793651 0.5119836 1.9054064 ] [ -3.175146 2.9379563 -3.5509184 ] [ 1.7991095 -2.1280754 0.7422589 ] [ 2.0454267 -1.0538629 -0.0105965 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.55476158516022e-09 -4.786359580267762e-09 6.291416099538757e-09 ] [ -3.227786035985173e-09 2.100489438625106e-09 -1.142284318777002e-09 ] [ 6.157441930289798e-10 6.668185395645043e-10 1.67498241036707e-09 ] [ -3.623011125021778e-09 1.589665864438821e-09 -5.359965727081391e-09 ] [ 6.078098939674541e-10 8.202881541530189e-10 3.052797587202693e-09 ] [ -5.087144688826636e-09 4.707124896792072e-09 -5.689198442848543e-09 ] [ 2.882491179159178e-09 -3.409552653179609e-09 1.189229856160725e-09 ] [ 3.277134838300096e-09 -1.688474499908488e-09 -1.69774645623072e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.359985 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.665294127883869e-18 } }