{ "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" [ [ 0.16379710000000003 -1.0084461000000002 0.5177653000000001 ] [ -0.7603760000000003 0.5001822000000001 0.9820756000000003 ] [ 0.062431300000000016 0.22218260000000006 -0.8749550000000003 ] [ -0.4235561000000001 1.6636148000000004 -1.4593685000000003 ] [ -0.31626050000000006 -0.16261150000000002 0.3886415000000001 ] [ -1.7847715000000004 0.14562060000000002 -0.19980770000000006 ] [ 0.6784740000000001 -1.9898729000000004 -1.0331357000000003 ] [ 2.3802617000000006 0.6293303000000001 1.6787846000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.624318863369614e-10 -1.615708778068428e-09 8.295514655560002e-10 ] [ -1.218256660254384e-09 8.013802335827149e-10 1.573458579141531e-09 ] [ 1.000259700902442e-10 3.559757702013685e-10 -1.40183245680147e-09 ] [ -6.786116866081675e-10 2.665404760536583e-09 -2.338166111095629e-09 ] [ -5.06705183357157e-10 -2.60532345719691e-10 6.226723303027111e-10 ] [ -2.859519194329131e-09 2.333099227490604e-10 -3.201272282332819e-10 ] [ 1.087035189576516e-09 -3.188127865009819e-09 -1.655265878291234e-09 ] [ 3.813599678545119e-09 1.00829830172821e-09 2.689709459639037e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.158846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.793285817360435e-18 } }