{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4210128 3.0977446 0.903179 ] [ -7.6598343 3.6169206 9.4773326 ] [ 2.7385688 -10.3760846 -6.1969773 ] [ 3.3979832 -2.1230337 4.5677441 ] [ 0.6561066 -0.3352184 -2.5207513 ] [ 3.3587263 1.6144358 0.6912601 ] [ 0.2891942 3.3616059 -6.4942083 ] [ 0.6402679 1.1436298 -0.4275789 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.481066772774915e-09 4.963134016219676e-09 1.447052290119486e-09 ] [ -1.227240753577174e-08 5.79494567235326e-09 1.518436084436647e-08 ] [ 4.387670941961419e-09 -1.662432029852724e-08 -9.928652231488408e-09 ] [ 5.444169285764548e-09 -3.401474987334566e-09 7.318332867111358e-09 ] [ 1.051198663933184e-09 -5.370790877668656e-10 -4.038688832985124e-09 ] [ 5.381272797861274e-09 2.586611315853097e-09 1.107520780236503e-09 ] [ 4.633401899283228e-10 5.38588642569654e-09 -1.040486879458886e-08 ] [ 1.025822268880249e-09 1.832296943506093e-09 -6.850569227714225e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.204748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.518898821345823e-18 } }