{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6522354 -1.4757447 -6.253571 ] [ 5.0821878 2.6215885 5.1193218 ] [ 2.1395875 3.1950382 -3.2088634 ] [ -2.4936149 -2.4749972 1.3799758 ] [ 0.3736209 4.2391859 -2.4928475 ] [ -2.0835224 -3.3346474 4.8725099 ] [ -0.7974569 -1.5777624 -2.6518964 ] [ 1.4314332 -1.1926609 3.2353709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.851526171538137e-09 -2.36440365660951e-09 -1.001932525271288e-08 ] [ 8.142562475674986e-09 4.200247804058141e-09 8.202057702311774e-09 ] [ 3.42799707065592e-09 5.119015506602915e-09 -5.141165918820799e-09 ] [ -3.99521149405853e-09 -3.965382650385461e-09 2.210964964029777e-09 ] [ 5.986066710222547e-10 6.791924540205007e-09 -3.993981983719727e-09 ] [ -3.338170878193106e-09 -5.342694102891507e-09 7.806621446396546e-09 ] [ -1.277666801275644e-09 -2.527854030457298e-09 -4.248806412863685e-09 ] [ 2.293408807276931e-09 -1.910853410522286e-09 5.183635615596655e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.295423 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.65495015518466e-18 } }