{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.153836 5.9697979 4.2916523 ] [ 0.2988652 -0.7259494 -0.3695904 ] [ -1.4113579 0.9731251 -1.1293278 ] [ 4.4539131 -5.8684896 -4.1617291 ] [ -0.1210007 0.8870171 -2.3305958 ] [ 1.6935228 -1.4200515 1.9540898 ] [ -0.0066646 1.3649093 1.4131594 ] [ 0.2465582 -1.1803589 0.3323417 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.257355614668023e-09 9.564670705082266e-09 6.875985036312358e-09 ] [ 4.788348401557367e-10 -1.163099166146319e-09 -5.921491030307135e-10 ] [ -2.261244649591308e-09 1.559118297178913e-09 -1.809382613286625e-09 ] [ 7.135955498686505e-09 -9.402356913992007e-09 -6.667825121057849e-09 ] [ -1.938644942376438e-10 1.421158071578441e-09 -3.734026134058537e-09 ] [ 2.713322659306255e-09 -2.275173332376651e-09 3.130797018297733e-09 ] [ -1.06778663949564e-11 2.186825787989296e-09 2.26413097079746e-09 ] [ 3.950297869610987e-10 -1.891143449313943e-09 5.324701062438378e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.710306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.561204123219001e-18 } }