{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2796238 0.0789442 0.474542 ] [ -3.901438 -3.7882207 3.8201864 ] [ 0.9788002 -0.2985624 0.0049189 ] [ 0.0664505 0.7949913 -0.2824336 ] [ 3.135811 3.2128476 -4.0172136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48006714979255e-10 1.264825515877594e-10 7.603000979876736e-10 ] [ -6.250792751100711e-09 -6.069398639970611e-09 6.120613337178117e-09 ] [ 1.568210796874364e-09 -4.78349697129938e-10 7.880946580053121e-12 ] [ 1.064654375404704e-10 1.273716474599399e-09 -4.525085108483789e-10 ] [ 5.024123071447469e-09 5.14754931091339e-09 -6.436285710679802e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.515225775408901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.234189174993692e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0598889 2.2753358 2.1094354 ] [ 2.3662239 2.2127857 4.6067619 ] [ 0.2571438 2.2547941 3.5982897 ] [ 1.4325481 4.2738682 3.5046807 ] [ 3.6486296 3.5865333 3.2156283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0598889e-10 2.2753358e-10 2.1094354e-10 ] [ 2.3662239e-10 2.2127857e-10 4.6067619e-10 ] [ 2.571438e-11 2.2547941e-10 3.5982897e-10 ] [ 1.4325481e-10 4.2738682e-10 3.5046807e-10 ] [ 3.6486296e-10 3.5865333e-10 3.2156283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 2e-06 2.8e-06 ] [ -1.2e-06 1.7e-06 -2.7e-06 ] [ 3.4e-06 2e-07 0.0 ] [ 7e-07 -2e-06 -6e-07 ] [ -2.4e-06 -2e-06 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 3.2043532416e-15 4.48609453824e-15 ] [ -1.92261194496e-15 2.72370025536e-15 -4.32587687616e-15 ] [ 5.44740051072e-15 3.2043532416e-16 0.0 ] [ 1.12152363456e-15 -3.2043532416e-15 -9.6130597248e-16 ] [ -3.84522388992e-15 -3.2043532416e-15 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }