{ "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" [ [ 1.975515816978816e-11 -1.63311945787751e-10 1.178501841725511e-10 ] [ -8.652380203378734e-10 4.627270331181792e-10 -5.826924108655105e-10 ] [ 1.842710435574731e-09 3.691946856961306e-10 2.463914526092073e-09 ] [ -2.269284513462221e-10 5.158415913626304e-10 -2.051183254208296e-09 ] [ 2.500486610726765e-10 -4.286040997531077e-09 -2.468922129120384e-11 ] [ 6.054192862315585e-10 7.372239481182912e-10 3.932792455306445e-10 ] [ -6.182781955724371e-10 -8.275066007003712e-11 -6.985889008666579e-10 ] [ -1.007488873792222e-09 2.44711602465831e-09 3.821098314363994e-10 ] ] "source-value" [ [ 0.0123302 -0.1019313 0.0735563 ] [ -0.5400391 0.2888115 -0.363688 ] [ 1.1501294 0.2304332 1.5378545 ] [ -0.1416376 0.321963 -1.2802479 ] [ 0.1560681 -2.6751364 -0.0154098 ] [ 0.377873 0.460139 0.2454656 ] [ -0.3858989 -0.0516489 -0.4360249 ] [ -0.6288251 1.5273697 0.2384942 ] ] } "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" -5.853147574278386e-18 "source-value" -36.532474 } }