{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.4238e-10 0.0 0.0 ] "source-value" [ 5.4238 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] "source-value" [ -0.0012341 5.50722 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] "source-value" [ -0.00966142 -0.113973 5.43239 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 4.017603674728493e-10 -3.774090452309722e-10 1.475526161102381e-10 ] [ -1.05888702022281e-09 7.699062683530042e-10 -5.454413237789241e-10 ] [ 2.313108690353301e-09 2.825826197523034e-10 2.776533631607501e-09 ] [ -5.38583687406576e-10 5.67653419796709e-10 -2.465511575747687e-09 ] [ 5.58991251896354e-10 -4.850890768459049e-09 1.994160346315066e-10 ] [ 3.012737724282182e-10 1.13691991101524e-09 3.331961802916857e-10 ] [ -5.769452431090387e-10 -8.388211719964608e-11 -8.050884647691514e-10 ] [ -1.400718131412297e-09 2.55511971197241e-09 3.593429016548313e-10 ] ] "source-value" [ [ 0.2507591 -0.2355602 0.0920951 ] [ -0.6609053 0.4805377 -0.3404377 ] [ 1.4437289 0.1763742 1.732976 ] [ -0.3361575 0.3543014 -1.5388513 ] [ 0.3488949 -3.0276879 0.1244657 ] [ 0.1880403 0.7096096 0.2079647 ] [ -0.3601009 -0.0523551 -0.5024967 ] [ -0.8742595 1.5947803 0.2242842 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.838705073565509e-18 "source-value" -36.442331 } }