{ "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" [ [ 1.5722138 0.3119438 -1.8116305 ] [ -0.0114024 -0.6783045 1.9380078 ] [ -0.081702 -1.4612199 -0.225816 ] [ 0.477468 0.7406797 3.1629654 ] [ -0.5210757 1.1980568 -0.9443886 ] [ -0.5359271 0.6817479 0.1331642 ] [ 0.6366706 -0.3298886 -2.1073564 ] [ -1.5362453 -0.4630152 -0.1449457 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.518964214012349e-09 4.997890674811692e-10 -2.902552056541737e-09 ] [ -1.82686588515216e-11 -1.086763620637053e-09 3.105030813669745e-09 ] [ -1.30901035351068e-10 -2.341132380915816e-09 -3.61797118783344e-10 ] [ 7.649880730827119e-10 1.18669970861813e-09 5.067629258030463e-09 ] [ -8.348553110851938e-10 1.919498611164811e-09 -1.513077348335972e-09 ] [ -8.586498771473813e-10 1.092280555658568e-09 2.133525697253028e-10 ] [ 1.02005875887476e-09 -5.285398067429723e-10 -3.376357183590357e-09 ] [ -2.46133632375232e-09 -7.418321346268368e-10 -2.322286137387738e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.13549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.789543773614065e-18 } }