{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.9198578 -6.1398368 -6.1845954 ] [ 9.8500468 8.7377494 -6.9540754 ] [ 4.7897029 9.8042537 7.2421866 ] [ -9.7677232 0.8912901 -3.184977 ] [ -0.8488646 -2.2862716 3.4948693 ] [ -2.3988898 -0.9592859 0.0388768 ] [ -8.0098936 -8.3348027 4.9213664 ] [ 0.4657636 -1.7130963 0.6263485 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.484657843762644e-09 -9.83710305753333e-09 -9.908814240623882e-09 ] [ 1.578151482676647e-08 1.399941792242752e-08 -1.11416571169542e-08 ] [ 7.673950070182037e-09 1.570814619194804e-08 1.16032621495879e-08 ] [ -1.564961787841971e-08 1.428004172335523e-09 -5.102895729227418e-09 ] [ -1.360031027549756e-09 -3.663010936497794e-09 5.599397931343935e-09 ] [ -3.843445185100933e-09 -1.536945454305661e-09 6.22875005646912e-11 ] [ -1.283326436674614e-08 -1.335382613494011e-08 7.884898253432698e-09 ] [ 7.462355568877223e-10 -2.744682863651854e-09 1.003520931440949e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.576576398437524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.213901367129247e-18 } }