{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1501418 -0.0258998 -2.2735877 ] [ 0.7027728 1.7684849 -0.5281916 ] [ 0.8692707 -0.0364322 0.6801244 ] [ 0.77628 -0.0961732 0.6023632 ] [ 0.3860218 -0.521556 2.179649 ] [ -0.6068987 -1.6690639 -1.0518027 ] [ -2.1177933 0.5498363 -0.3456404 ] [ -1.1597951 0.0308039 0.7370857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.84273030256483e-09 -4.149605404339584e-11 -3.642689058278444e-09 ] [ 1.125966149894154e-09 2.833425161017826e-09 -8.462562328229453e-10 ] [ 1.39272519268645e-09 -5.837081908430975e-11 1.089679412915627e-09 ] [ 1.243737667194624e-09 -1.540864525875226e-10 9.650922362702745e-10 ] [ 6.184751030791335e-10 -8.356248296379648e-10 3.492182669350099e-09 ] [ -9.723589083339131e-10 -2.674135159201269e-09 -1.685173695634316e-09 ] [ -3.393078912946881e-09 8.80934865127175e-10 -5.537769680839604e-10 ] [ -1.858196594138398e-09 4.935328840946112e-11 1.180941476066002e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.730336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.48158363013286e-18 } }