{ "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" [ [ -0.9780579 0.6681285 0.0470854 ] [ 0.4819571 0.1390782 -1.1193587 ] [ -0.0288303 0.0601118 -0.4684191 ] [ 1.0797405 -0.3804094 0.6038385 ] [ -0.79299 -0.1388613 -0.065426 ] [ 0.5159501 -0.7747501 1.8422123 ] [ -0.1022095 0.9002575 0.9780811 ] [ -0.17556 -0.4735551 -1.8180134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.567021514079109e-09 1.070459871209469e-09 7.543912768254359e-11 ] [ 7.721804042104014e-10 2.228278423387788e-10 -1.793410354204616e-09 ] [ -4.619123301121019e-11 9.630972138768119e-11 -7.504901369393093e-10 ] [ 1.729934999883477e-09 -6.094830520339595e-10 9.674559354096087e-10 ] [ -1.27051004899566e-09 -2.224803302268642e-10 -1.04824008456084e-10 ] [ 8.266431945299632e-10 -1.241286507409163e-09 2.951549501927397e-09 ] [ -1.63757672672823e-10 1.442371531083255e-09 1.567058684577017e-09 ] [ -2.8127812986504e-10 -7.587189161315333e-10 -2.912778589778895e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.835287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.901663613808396e-18 } }