{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5722143 0.311944 -1.811631 ] [ -0.0114025 -0.6783047 1.938008 ] [ -0.0817022 -1.4612206 -0.2258161 ] [ 0.4774683 0.74068 3.162966 ] [ -0.5210757 1.198057 -0.9443887 ] [ -0.5359272 0.6817481 0.1331642 ] [ 0.6366708 -0.3298884 -2.1073567 ] [ -1.5362458 -0.4630154 -0.1449456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.518964994347437e-09 4.997893837988351e-10 -2.902552833716525e-09 ] [ -1.8268818918672e-11 -1.086763932118758e-09 3.105031108523367e-09 ] [ -1.309013547079258e-10 -2.341133483151349e-09 -3.617972760202348e-10 ] [ 7.649885474331207e-10 1.186700179494144e-09 5.067630177585293e-09 ] [ -8.348553042069946e-10 1.919498915785786e-09 -1.513077496087705e-09 ] [ -8.58650030290806e-10 1.09228086709482e-09 2.133525679675354e-10 ] [ 1.020059070906033e-09 -5.285394819531188e-10 -3.37635763642624e-09 ] [ -2.461337104562193e-09 -7.418324489503604e-10 -2.322284516078285e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.13549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.789543725915219e-18 } }