{ "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" [ [ -18.5208731 20.4559421 17.3211437 ] [ 1.1159858 -3.670169 -1.4728119 ] [ -1.7822008 4.7582661 -1.2582867 ] [ 18.0546744 -21.0255867 -16.6673564 ] [ -1.7863545 1.9685305 -5.0296844 ] [ 4.233985 -3.6466426 3.7738811 ] [ -2.0872748 4.7876773 2.6065552 ] [ 0.7720579 -3.6280177 0.7265593 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.967371012209914e-08 3.277403245907689e-08 2.77515317102963e-08 ] [ 1.788006372635797e-09 -5.880259014631146e-09 -2.359704812457144e-09 ] [ -2.855400478856107e-09 7.623582763774307e-09 -2.015997549612968e-09 ] [ 2.892677745815797e-08 -3.368670372688117e-08 -2.670404897463036e-08 ] [ -2.862055439940753e-09 3.153933570416337e-09 -8.058442822074308e-09 ] [ 6.783591835706488e-09 -5.842565566269008e-09 6.046424117914217e-09 ] [ -3.344182913297023e-09 7.670704701192207e-09 4.176161836671196e-09 ] [ 1.236973127475108e-09 -5.812725186678421e-09 1.164076333675396e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.376003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.86677222409139e-18 } }