{ "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" [ [ 2.1614498 -0.2953434 -2.4954951 ] [ 0.3745527 -0.964869 2.6063036 ] [ 0.1587709 -1.2952759 -0.3319845 ] [ 0.1100306 0.8859042 4.0496376 ] [ -0.8644521 1.6311267 -1.5320635 ] [ -1.035835 1.0606722 0.665984 ] [ 0.64895 -0.5563026 -2.9238741 ] [ -1.5534669 -0.4659122 -0.0385079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.463024365123973e-09 -4.731922944861155e-10 -3.998223939481493e-09 ] [ 6.000995841416118e-10 -1.545890566670946e-09 4.175758729030082e-09 ] [ 2.543790261391505e-10 -2.07526078156332e-09 -5.31897808750173e-10 ] [ 1.762884563450004e-10 1.419375009202463e-09 6.488234738887837e-09 ] [ -1.385004955832231e-09 2.613353085833527e-09 -2.454636341504258e-09 ] [ -1.65959063367939e-09 1.699384215173374e-09 1.067024003417856e-09 ] [ 1.0397325266343e-09 -8.912950271534483e-10 -4.684562763777778e-09 ] [ -2.488928368872414e-09 -7.464736403355347e-10 -6.169645760440859e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.049228 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775723077533855e-18 } }