{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0333633 -0.0662134 -0.0375484 ] [ -0.0283115 -0.0309227 -0.0565383 ] [ 0.0989867 0.1155464 0.1672422 ] [ 0.0450707 -0.0068943 -0.2237821 ] [ -0.0773331 -0.3293006 0.0376738 ] [ 0.1606747 -0.0163265 0.0516079 ] [ -0.0748493 0.0688006 -0.0776211 ] [ -0.0908749 0.2653105 0.1389661 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.345389925273664e-11 -1.060855614636787e-10 -6.015916862844672e-11 ] [ -4.536002339977921e-11 -4.954362699201216e-11 -9.058434243977663e-11 ] [ 1.585941765101433e-10 1.851257406976051e-10 2.679515428511578e-10 ] [ 7.221122182309056e-11 -1.104588627678144e-11 -3.585384487735277e-10 ] [ -1.239012848339885e-10 -5.275977225354125e-10 6.036008157669505e-11 ] [ 2.574292478940538e-10 -2.61579365994912e-11 8.268497082858433e-11 ] [ -1.199217985432454e-10 1.102307128170125e-10 -1.243627117007789e-10 ] [ -1.455976401975379e-10 4.250742803527584e-10 2.226482365037549e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 30.017176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.809281760963887e-18 } }