{ "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" [ [ 0.6561885 -0.1293978 -3.2782932 ] [ 0.5092314 0.6343418 1.8628549 ] [ -0.3814511 0.6315214 0.380622 ] [ -0.1045301 -0.4870346 0.764985 ] [ -1.1353863 0.3834574 1.5441445 ] [ 0.6507481 0.6067419 0.6810564 ] [ -0.1119025 1.7417864 -1.9251806 ] [ -0.0828981 -3.3814165 -0.030189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.051329873537821e-09 -2.073181299429542e-10 -5.252404721167618e-09 ] [ 8.158786436572532e-10 1.016327601556189e-09 2.984622568722722e-09 ] [ -6.111520343984428e-10 1.011808822614885e-09 6.098236697621377e-10 ] [ -1.674756823898861e-10 -7.803154496406796e-10 1.225641082262688e-09 ] [ -1.819089385436615e-09 6.143664813527539e-10 2.473992217036906e-09 ] [ 1.04261339185002e-09 9.721076870397715e-10 1.091172641526213e-09 ] [ -1.79287569309072e-10 2.790649448507397e-09 -3.084479348137717e-09 ] [ -1.328173977287405e-10 -5.417626461487363e-09 -4.83681100053312e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.83005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.740606843209505e-18 } }