{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.303037 1.1893561 3.5759645 ] [ -0.032102 0.3852549 -0.5105422 ] [ 0.8303134 -0.4723314 0.4876131 ] [ 3.6529143 -3.2236638 -2.9558584 ] [ -3.1096149 1.8850377 3.5195222 ] [ -0.6227525 1.0372112 0.5166274 ] [ -0.4656563 0.1872892 -1.077474 ] [ 3.0499351 -0.9881539 -3.5558526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.292048659037369e-09 1.905558537225867e-09 5.729326718710761e-09 ] [ -5.143307388092159e-11 6.172463938286419e-10 -8.179787767717976e-10 ] [ 1.330308717416959e-09 -7.567583263497332e-10 7.812423088158125e-10 ] [ 5.852613889245997e-09 -5.164878773679288e-09 -4.735807222875295e-09 ] [ -4.98215229247133e-09 3.020163332266605e-09 5.638896185226582e-09 ] [ -9.97759496044752e-10 1.661795535471913e-09 8.277283419446899e-10 ] [ -7.460636371882311e-10 3.000703775683353e-10 -1.726303652319859e-09 ] [ 4.88653471217731e-09 -1.583197076332341e-09 -5.697103902730894e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.898975 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.591432183488369e-18 } }