{ "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" [ [ 0.2351773 -0.349414 -1.1194236 ] [ -0.0558477 0.4069224 0.1328642 ] [ 0.020237 0.1589721 0.3427949 ] [ 0.0463318 -0.2107912 0.4613303 ] [ -0.4711893 -0.0569982 0.5263625 ] [ 0.0582677 0.319374 0.1019371 ] [ 0.1814929 0.5664192 -0.5217579 ] [ -0.0144697 -0.8344842 0.0758924 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.767955718028679e-10 -5.598229417802112e-10 -1.793514320691771e-09 ] [ -8.947787926545217e-11 6.51961555759826e-10 2.128719149812954e-10 ] [ 3.24232482751296e-11 2.547013819794797e-10 5.492179745094739e-10 ] [ 7.423172675958144e-11 -3.37724732510377e-10 7.391326211266503e-10 ] [ -7.549284804311175e-10 -9.132118346768256e-11 8.433256915658399e-10 ] [ 9.335514668778816e-11 5.116935560913791e-10 1.633212384121517e-10 ] [ 2.907836812211923e-10 9.075035998122393e-10 -8.359483090977043e-10 ] [ -2.318301504998976e-11 -1.336991075666991e-09 1.215930289764019e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 143.77278 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.303493868234219e-17 } }