{ "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" [ [ -6.8960705 7.7781835 6.5657904 ] [ -12.4942197 -8.9822609 7.7132746 ] [ -5.0074072 -11.1498355 -7.1568753 ] [ 11.0151202 -2.1104515 4.7905797 ] [ 1.1327139 1.8367108 -3.0263695 ] [ 2.6499063 1.3535151 1.0597273 ] [ 8.9022762 9.4357564 -8.7115102 ] [ 0.6976806 1.838382 -1.2346171 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.10487230215167e-08 1.246202385866434e-08 1.051955596262151e-08 ] [ -2.001794686340249e-08 -1.439116853447181e-08 1.235802833574569e-08 ] [ -8.022750812763365e-09 -1.786400591104371e-08 -1.146657837811174e-08 ] [ 1.76481682051414e-08 -3.38131608049025e-09 7.67535485865473e-09 ] [ 1.814807743587012e-09 2.942735127175447e-09 -4.848778498750262e-09 ] [ 4.245617956149394e-09 2.168570266986173e-09 1.697870318471908e-09 ] [ 1.426301891705431e-08 1.511774842819596e-08 -1.395737808929267e-08 ] [ 1.1178075553151e-09 2.945412684766188e-09 -1.978074669556841e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.179778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.874027532690725e-18 } }