{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46856e-10 0.0 0.0 ] "source-value" [ 5.46856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] "source-value" [ 0.109414 5.47364 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] "source-value" [ 0.0853482 0.188746 5.50226 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.630908774576131e-09 -1.528412889831354e-09 -1.210108781012342e-09 ] [ -1.326163245628301e-10 -1.31222270685072e-10 2.312594231440362e-09 ] [ 9.821623066412641e-10 -8.638442868954394e-10 -2.670110651747482e-10 ] [ -1.309512625096637e-09 6.358784261872493e-10 -5.445271217990956e-10 ] [ -5.190784687896327e-10 -3.73200928336441e-10 -1.649753255554656e-09 ] [ 4.871792924871668e-10 1.220464449600883e-09 1.553492241129723e-09 ] [ -6.599320640129818e-10 -2.890272951006404e-09 -3.107611894624151e-09 ] [ 2.782706497692119e-09 3.930610450966578e-09 2.912925645594908e-09 ] ] "source-value" [ [ -1.0179332 -0.9539603 -0.7552905 ] [ -0.0827726 -0.0819025 1.4434078 ] [ 0.6130175 -0.5391692 -0.1666552 ] [ -0.8173335 0.3968841 -0.3398671 ] [ -0.3239833 -0.2329337 -1.029695 ] [ 0.3040734 0.761754 0.9696136 ] [ -0.4118972 -1.8039665 -1.9396188 ] [ 1.7368288 2.4532941 1.8181052 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.770849127993517e-18 "source-value" -60.984844 } }