{ "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" [ 5.3952 0 0 ] "si-unit" "m" "si-value" [ 5.3952e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00461172 5.6034 0 ] "si-unit" "m" "si-value" [ 4.61172e-13 5.6034e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.071329 0.0469434 5.27588 ] "si-unit" "m" "si-value" [ 7.132900000000001e-12 4.694340000000001e-12 5.27588e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0148313 -0.0405976 0.0741579 ] [ 1.40662 1.33729 1.44565 ] [ 0.021393 2.68696 2.73819 ] [ 1.3197 4.02815 4.06112 ] [ 2.69728 0.0386556 2.72588 ] [ 4.00631 1.34667 3.9586 ] [ 2.7243 2.85873 -0.0805011 ] [ 4.14392 4.06243 1.15826 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.48313e-12 -4.05976e-12 7.41579e-12 ] [ 1.40662e-10 1.33729e-10 1.44565e-10 ] [ 2.1393e-12 2.68696e-10 2.73819e-10 ] [ 1.3197e-10 4.02815e-10 4.06112e-10 ] [ 2.69728e-10 3.86556e-12 2.72588e-10 ] [ 4.00631e-10 1.34667e-10 3.9586e-10 ] [ 2.7243e-10 2.85873e-10 -8.050110000000001e-12 ] [ 4.14392e-10 4.06243e-10 1.15826e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8476473000000002 3.543166900000001 -1.0074835000000002 ] [ -0.8774316000000002 0.7122388000000001 -1.3614063000000003 ] [ -0.43712050000000013 0.17175380000000004 -1.8387563000000005 ] [ -0.21701670000000006 1.6666735000000004 -1.5753904000000005 ] [ -0.8549026000000002 -1.5198411000000005 0.06467690000000001 ] [ 1.2579789000000001 0.5246851000000001 1.3498468000000001 ] [ 0.26259940000000004 -3.2694881000000007 1.6221439000000004 ] [ 0.018245900000000002 -1.8291889000000003 2.7463689000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.358080686744244e-09 5.676779170772413e-09 -1.614166509541757e-09 ] [ -1.405800395871138e-09 1.141132353786647e-09 -2.181213345269832e-09 ] [ -7.003442455724067e-10 2.751799228935591e-10 -2.946012355208711e-09 ] [ -3.476990830631675e-10 2.670305316206909e-09 -2.524053667512761e-09 ] [ -1.369704958781134e-09 -2.435053877750956e-09 1.036238170858195e-10 ] [ 2.015504383039701e-09 8.406382005021104e-10 2.162692984621694e-09 ] [ 4.207306193161076e-10 -5.238297395803814e-09 2.598961032153334e-09 ] [ 2.923315440545472e-11 -2.93068369060687e-09 4.400168043672214e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.509572 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.36882528314143e-18 } }