{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5320084 0.2351329 0.2903906 ] [ 0.247274 0.1027089 -0.7216117 ] [ 0.1686142 0.0935431 -0.1489648 ] [ 0.5241273 0.1110237 0.420153 ] [ -0.4058388 -0.2302395 0.1014388 ] [ 0.3158858 -0.1822295 0.7536057 ] [ -0.1253283 0.1286098 0.4635345 ] [ -0.1927258 -0.2585493 -1.1585461 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.523714205492149e-10 3.767244351609043e-10 4.652570302200845e-10 ] [ 3.961766217316992e-10 1.645577983280851e-10 -1.156149395035743e-09 ] [ 2.701497291748953e-10 1.498725678571565e-10 -2.386679198821479e-10 ] [ 8.397445063830278e-10 1.77879576494713e-10 6.731593137589824e-10 ] [ -6.50225437173527e-10 -3.688843440846816e-10 1.62522873802007e-10 ] [ 5.061048436027047e-10 -2.919638445200736e-10 1.207409433841619e-09 ] [ -2.007980721846087e-10 2.060556147657638e-10 7.426641388342176e-10 ] [ -3.087807709849766e-10 -4.142416437842054e-10 -1.856195475539019e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 648.98602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.039790228470041e-16 } }