{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4568211 -0.8661897 3.4939114 ] [ -0.5299862 -0.1352852 0.0943909 ] [ -1.8851688 -2.311191 -1.0866366 ] [ 1.6036331 1.5951127 -0.4551117 ] [ -0.2779625 -0.2342469 -0.0773682 ] [ -0.0043129 0.6800041 -3.1649932 ] [ 0.8489387 0.5842312 1.5407685 ] [ -0.2119624 0.6875649 -0.3449611 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.319080863081388e-10 -1.387788886517766e-09 5.597863160226597e-09 ] [ -8.491314989866328e-10 -2.167507845802522e-10 1.512308931962707e-10 ] [ -3.020373377621591e-09 -3.702936186403373e-09 -1.740983755825602e-09 ] [ 2.569303461161029e-09 2.555652275481164e-09 -7.291693255925434e-10 ] [ -4.4534501895912e-10 -3.753049066748756e-10 -1.239575212333786e-10 ] [ -6.910027547848319e-12 1.089486671068145e-09 -5.070878110030979e-09 ] [ 1.360149737632345e-09 9.360415697819289e-10 2.468583268765085e-09 ] [ -3.396012017686579e-10 1.10160040806269e-09 -5.526886095054509e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.7325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.2830186515536e-18 } }