{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.33088e-10 0.0 0.0 ] "source-value" [ 5.33088 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] "source-value" [ 0.0480326 5.46857 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] "source-value" [ -0.109209 0.182969 5.33745 ] } "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" [ [ 2.542284418714922e-08 -2.236595047519779e-08 2.232202632248557e-08 ] [ -4.43500737429151e-09 -6.629773211161364e-10 9.995470445005784e-10 ] [ 1.432200549532161e-08 -2.448081944899458e-08 1.704906166983154e-08 ] [ -9.118932433179072e-11 2.523330765421455e-09 5.682238427390125e-09 ] [ 5.391465961405279e-09 1.932430884380573e-09 -2.33563385168279e-09 ] [ -1.608290991416193e-08 1.950102379811478e-08 -3.132273109868024e-08 ] [ -3.854223956869682e-09 1.984279723094592e-09 4.845162987039688e-09 ] [ -2.06729850742212e-08 2.15686820742971e-08 -1.723967134066682e-08 ] ] "source-value" [ [ 15.8676914 -13.9597284 13.9323131 ] [ -2.7681139 -0.4137979 0.6238682 ] [ 8.9390928 -15.2797258 10.6411874 ] [ -0.0569159 1.5749392 3.5465743 ] [ 3.3650884 1.2061285 -1.457788 ] [ -10.0381629 12.1715818 -19.5501112 ] [ -2.4056174 1.23849 3.0241129 ] [ -12.9030625 13.4621126 -10.7601566 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.899102666243852e-18 "source-value" -30.577794 } }