{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.654692 -0.2178202 -3.1816624 ] [ 0.4317328 0.741385 1.6790036 ] [ -0.3969309 0.6517769 0.5359403 ] [ -0.1889585 -0.4907986 0.7353004 ] [ -1.0069406 0.1851931 1.6308875 ] [ 0.6460774 0.7638934 0.7659764 ] [ -0.0269769 1.6643469 -1.9818236 ] [ -0.1126952 -3.2979766 -0.1836221 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.048932216224794e-09 -3.489864319779802e-10 -5.097585112558418e-09 ] [ 6.917121985925223e-10 1.187829714011808e-09 2.690060314159035e-09 ] [ -6.359534080531027e-10 1.0442617111575e-09 8.586710188045383e-10 ] [ -3.027448910014368e-10 -7.863460424413709e-10 1.178081110144888e-09 ] [ -1.613296687854325e-09 2.967120551534765e-10 2.61296982365496e-09 ] [ 1.03513010550725e-09 1.223892146263423e-09 1.227229480164549e-09 ] [ -4.322175848165952e-11 2.666577692080956e-09 -3.175231438469691e-09 ] [ -1.805576147163802e-10 -5.283941004465473e-09 -2.941950356821997e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.787829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.733842293298825e-18 } }