{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8717006 0.7094329 -0.8582071 ] [ 0.3748672 -0.0840717 2.7664717 ] [ -0.309883 0.4754216 -0.2682753 ] [ 0.0355646 -1.3646643 -2.314828 ] [ -2.7698243 0.6893936 0.4504116 ] [ 5.1604816 -1.6354659 -0.8528705 ] [ -1.5509129 2.9991102 1.727232 ] [ 1.9314074 -1.7891563 -0.6499343 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.600971563257333e-09 1.136636806406344e-09 -1.374999351424568e-09 ] [ 6.006034637447579e-10 -1.346977122109114e-10 4.432376279844832e-09 ] [ -4.964872977833665e-10 7.617093725433294e-10 -4.298244135981062e-10 ] [ 5.698077064810368e-11 -2.186433236700397e-09 -3.708763302773222e-09 ] [ -4.437747737183724e-09 1.104530308449147e-09 7.216389352571214e-10 ] [ 8.268002971588577e-09 -2.620305229095631e-09 -1.366449175670006e-09 ] [ -2.484836389277128e-09 4.805104245642813e-09 2.767330729097626e-09 ] [ 3.094455781520114e-09 -2.866544394817031e-09 -1.041309540516013e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.418216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.67462376256445e-18 } }