{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1142218 0.2771187 1.8376152 ] [ -1.0478868 1.5385976 -2.8732227 ] [ -1.3555851 -0.6313809 -0.9666076 ] [ 1.3122067 -1.9025518 0.6002032 ] [ 2.2562575 -0.9434376 0.0771256 ] [ -2.2726697 1.5696101 0.3294435 ] [ -2.061027 -1.8805593 -0.9981042 ] [ 2.0544825 1.9726031 1.9935472 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.785180133053421e-09 4.439931059844557e-10 2.944184135723236e-09 ] [ -1.678899746037031e-09 2.465105123848478e-09 -4.603410274218392e-09 ] [ -2.171886772618553e-09 -1.011583725133891e-09 -1.548676110966818e-09 ] [ 2.102386913718247e-09 -3.048224038934641e-09 9.616315426920289e-10 ] [ 3.614923046787254e-09 -1.511553678357038e-09 1.235688342032304e-10 ] [ -3.641218290139789e-09 2.514792626710403e-09 5.278266779231789e-10 ] [ -3.302129301443118e-09 -3.012988169311396e-09 -1.599139227537263e-09 ] [ 3.291643856461905e-09 3.160458594975965e-09 3.194014742616124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -330.07817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.288435313674798e-17 } }