{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -1.052180308888142e-09 1.030869917872543e-09 3.590584031522759e-09 ] [ -3.132468222936904e-09 -1.581366749760739e-09 7.760868248854023e-10 ] [ -3.058962121968883e-10 -7.633072232872531e-10 -1.260579908050136e-09 ] [ 2.39803782997464e-09 5.043687250164058e-10 -1.871616265296557e-10 ] [ -3.352596395833803e-09 -1.035415773598738e-09 1.707663929513472e-11 ] [ 3.032762208341927e-09 -8.01298515972649e-10 5.715055330460986e-10 ] [ -9.730946278381843e-10 1.019901897379532e-09 -2.722568157359743e-09 ] [ 3.385435729377354e-09 1.626247562133237e-09 -7.849431765921985e-10 ] ] "source-value" [ [ -0.6567193000000001 0.6434184000000001 2.2410663000000004 ] [ -1.9551329000000004 -0.9870115000000003 0.4843953000000001 ] [ -0.19092540000000005 -0.4764189000000001 -0.7867921000000002 ] [ 1.4967375000000003 0.31480220000000003 -0.11681710000000002 ] [ -2.0925261000000006 -0.6462557000000001 0.010658400000000002 ] [ 1.8929013000000003 -0.5001312000000001 0.35670570000000007 ] [ -0.6073579000000001 0.6365727000000001 -1.6992934000000004 ] [ 2.1130228000000004 1.0150239000000003 -0.4899230000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.796418185142085e-18 "source-value" -36.178397 } }