{ "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" [ [ 0.9698991 -0.2302675 -4.1359992 ] [ 0.7142176 0.7623839 2.4243779 ] [ -0.5021507 1.1465121 0.7340507 ] [ -0.0444246 -1.1288229 1.2064224 ] [ -1.2746922 0.2593815 2.0422906 ] [ 0.9481097 0.9116374 0.9691035 ] [ -0.8274732 2.5414015 -3.1185106 ] [ 0.0165144 -4.262226 -0.1217353 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.553949662554961e-09 -3.68929205030064e-10 -6.626601221887503e-09 ] [ 1.144302740883886e-09 1.221473660654325e-09 3.8842815913642e-09 ] [ -8.045341116583545e-10 1.836914882084312e-09 1.176078870021874e-09 ] [ -7.117605550839168e-11 -1.808573659403657e-09 1.932901764089426e-09 ] [ -2.042282041556118e-09 4.155749751680352e-10 3.272110252199604e-09 ] [ 1.519039195293702e-09 1.460604128926898e-09 1.552674970835453e-09 ] [ -1.325758215378563e-09 4.071774067366051e-09 -4.996404775036981e-09 ] [ 2.645898558653952e-11 -6.828838849765901e-09 -1.950414515860743e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.980795 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.284105868439754e-18 } }