{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.05875700000000001 -1.3512743000000003 0.5415682000000002 ] [ -1.1437171000000002 0.8605980000000002 1.4832484000000001 ] [ -0.19899880000000006 0.46499800000000013 -1.8310298000000005 ] [ 0.04336480000000001 2.2748011000000004 -1.7900652000000004 ] [ -0.6741210000000001 -0.5639355000000001 0.9938654000000002 ] [ -2.6865488000000006 0.5871917000000001 0.31213290000000005 ] [ 1.4785743000000002 -2.4614679000000006 -1.8191383000000005 ] [ 3.122689600000001 0.18908890000000006 2.1094186000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.413909170834562e-11 -2.164980091747886e-09 8.676879086087388e-10 ] [ -1.832436798429176e-09 1.378829995507239e-09 2.376425909319007e-09 ] [ -3.188312249272551e-10 7.450089243187586e-10 -2.9336331375481e-09 ] [ 6.947806872566787e-11 3.644633139390123e-09 -2.868000613147677e-09 ] [ -1.080060905790317e-09 -9.035242737391586e-10 1.592347908102041e-09 ] [ -4.304325677998296e-09 9.407848136678076e-10 5.000920349625044e-10 ] [ 2.368937175575726e-09 -3.943706322229674e-09 -2.914580854261857e-09 ] [ 5.003100271135305e-09 3.029538148327892e-10 3.379661164400668e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.033723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.773238855098325e-18 } }