{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1390632 0.9738839 -2.297837 ] [ -0.658769 0.2690186 0.4533164 ] [ -0.4638252 -0.5639577 -1.4240103 ] [ -1.4078309 -0.8938208 3.3398296 ] [ 3.3215038 1.4906451 -1.9338389 ] [ -0.2171385 -1.706041 -0.2140304 ] [ -0.1772104 0.9018974 0.0989149 ] [ -1.535793 -0.4716253 1.9776558 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.824980443689269e-09 1.560334028808793e-09 -3.681540750140657e-09 ] [ -1.055464299003546e-09 4.310153150313923e-10 7.262929438889976e-10 ] [ -7.431298977003767e-10 -9.035598495043818e-10 -2.28151602923533e-09 ] [ -2.25559377260319e-09 -1.432058800743187e-09 5.350996946661566e-09 ] [ 5.321635778102208e-09 2.388276748806593e-09 -3.098351499500262e-09 ] [ -3.47894231041809e-10 -2.733379026845994e-09 -3.429145058456736e-10 ] [ -2.839223621817936e-10 1.444998940545351e-09 1.584791415344466e-10 ] [ -2.460611659260762e-09 -7.556270356632402e-10 3.168553912854577e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.802741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.736231506335379e-18 } }