{ "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" [ [ 0.8261247 -0.293501 -4.0113102 ] [ 0.5115301 0.7018385 2.0681455 ] [ -0.4911877 0.9026537 0.4344026 ] [ 0.0202734 -0.822382 1.3772424 ] [ -1.4047981 0.4067829 1.654901 ] [ 0.779985 0.703135 0.8996373 ] [ -0.2586302 2.3441001 -2.5154319 ] [ 0.0167028 -3.9426271 0.0924134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.323597680205414e-09 -4.702404403814209e-10 -6.426827421216572e-09 ] [ 8.195615670554861e-10 1.124469236277341e-09 3.313534368512727e-09 ] [ -7.869694493645241e-10 1.446210654818617e-09 6.959896897347341e-10 ] [ 3.248156750412672e-11 -1.317601213766745e-09 2.206585574454482e-09 ] [ -2.250734672764261e-09 6.517380521212244e-10 2.651443691938541e-09 ] [ 1.249673731574688e-09 1.126546458266208e-09 1.441377849259636e-09 ] [ -4.143712598728281e-10 3.755662377034942e-09 -4.030166181394524e-09 ] [ 2.676083566189824e-11 -6.316784964152504e-09 1.480625889286387e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.564244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.698020027322668e-18 } }